CAS: 88337-96-6; 15-Acetoxy-3Alpha,7Alpha-Dihydroxy-12,13-Epoxytrichothec-9-En-8-One

该化合物是福氏菌菌菌的某些菌株,特别是福氏龙胺和福氏菌菌菌,产生的一种甲氧基二氧基新醇(15-ADON),是脱氧氮基新醇(DON)的衍生物,以其对人体和动物的毒性影响闻名. 15-ADON的特点是其芳香结构,它影响其生物活动和毒性.该化合物一般是无色的黄色固体,在甲醇和乙醇等有机溶剂中溶解,但水中溶解程度较低.15-ADON的毒性主要与它抑制蛋白合成的能力有关,导致胃肠紊乱和接触生物的免疫抑制等不良健康影响.它经常出现在被污染的谷物中,对食物安全和动物健康造成危险.监管机构监测食品中15-ADON的水平,以减轻潜在的健康风险.了解其特性对于制定管理和减少农业环境中接触甲型菌的战略至关重要.

英文名称15-Acetoxy-3Alpha,7Alpha-Dihydroxy-12,13-Epoxytrichothec-9-En-8-One
中文名称15-O-乙酰脱氧瓜萎镰菌醇
IUPAC名称((2S,2'R,3'R,5'R,5a'R,6'S,9a'R)-3',6'-dihydroxy-5',8'-dimethyl-7'-oxo-2',3',4',5',7',9a'-hexahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-5a'(6'H)-yl)methyl acetate
其它别名Spiro[2,5-methano-1-benzoxepin-10,2'-oxirane],trichothec-9-en-8-one deriv.; 15-Acetyldeoxynivalenol; 15-Acetylvomitoxin; 15-O-Acetyl-4-deoxynivalenol; Deoxynivalenol 15-acetate
CAS编号88337-96-6
MFCD编号:MFCD00083218
EINECS号:621-572-3
FDA UNII编号:0430X4R3Z1
分子式:C17H22O7分子量:338.36
产品CID: 1893128
产品分类分析化学 → 标准品 → 食品和化妆品标准品

相似结构搜索
产品信息参考;;
InChIKey: IDGRYIRJIFKTAN-HTJQZXIKSA-N
InChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1
计算化学: 氢键受体数7.0氢键供体数2.0可旋转键数3.0

MSDS等安全信息

GHS象形图
GHS符号GHS06;
注释: Skull and crossbones
危险类别急性毒性类别3(吸入)
急性毒性类别3(经皮)
急性毒性类别2(经口)
警示词Danger(危险)
危险描述H331 |吸入会中毒.
H311 |皮肤接触会中毒.
H300 |吞咽致命.
防范说明P280-P301+P310+P330-P302+P352+P312-P304+P340+P311
危险等级6.1(a)
UN编号UN 2811 6.1/PG 2
危险品标志T,Xn,F
包装等级I
安全声明36/37-45-26-16
危险类别码23/24/25-36-20/21/22-11
WGK Germany3.0

欧盟法规

C&L通报

上下游产品

CAS号115032-23-0 ((3R,6S)-6-hydr... | CAS号51481-10-8 脱氧瓜萎镰菌醇 | CAS号64-19-7 冰醋酸 | CAS号50722-38-8 3-乙酰脱氧瓜萎镰菌醇 | CAS号108-24-7 乙酸酐

合成工艺路线路线简述

115032-23-0 = 88337-96-6
反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

51481-10-8 + 110-87-2 = 88337-96-6
反应条件:1.1 Solvents: Dichloromethane2.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane3.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

50722-38-8 = 88337-96-6
反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Methanol,Water2.1 Solvents: Dichloromethane3.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane4.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

56676-60-9 = 88337-96-6
反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Methanol,Water2.1 Solvents: Dichloromethane3.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane4.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

51481-10-8 = 88337-96-6
反应条件:1.1 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane2.1 Reagents: Ammonium Hydroxide Solvents: Methanol,Water3.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane4.1 Reagents: Ammonium Hydroxide Solvents: Methanol,Water5.1 Catalysts: P-Toluenesulfonic Acid Solvents: Dichloromethane6.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran7.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane8.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

51481-10-8 = 88337-96-6 + 56676-60-9
反应条件:1.1 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

51481-10-8 = 88337-96-6 + 56676-60-9
反应条件:1.1 Catalysts: 4-(Dimethylamino)Pyridine Solvents: Pyridine; Rt; Overnight,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Rt
标题:Sulfation Of Deoxynivalenol,Its Acetylated Derivatives,And T2-Toxin
作者:Fruhmann,Philipp; Et Al
参考文献:Tetrahedron 日期:2014 卷标:70(34) 页码:5260-5266]

= 88337-96-6 + 50722-38-8
反应条件:1.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane2.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

50722-38-8 = 88337-96-6 + 50722-38-8
反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Methanol,Water2.1 Catalysts: Pyridine Solvents: Dichloromethane
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

= 88337-96-6
反应条件:1.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane2.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

= 88337-96-6
反应条件:1.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran2.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane3.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

110-87-2 = 88337-96-6
反应条件:1.1 Catalysts: P-Toluenesulfonic Acid Solvents: Dichloromethane2.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran3.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane4.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

50722-38-8 = 88337-96-6
反应条件:1.1 Reagents: Acetic Acid,Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane2.1 Reagents: Triethylamine Solvents: Methanol3.1 Solvents: Dichloromethane4.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane5.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

115032-19-4 = 88337-96-6
反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Methanol,Water2.1 Catalysts: P-Toluenesulfonic Acid Solvents: Dichloromethane3.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran4.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane5.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

18162-48-6 + 50722-38-8 = 88337-96-6
反应条件:1.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane2.1 Reagents: Ammonium Hydroxide Solvents: Methanol,Water3.1 Catalysts: P-Toluenesulfonic Acid Solvents: Dichloromethane4.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran5.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane6.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

51481-10-8 = 88337-96-6
反应条件:1.1 Catalysts: Pyridine Solvents: Dichloromethane2.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane3.1 Reagents: Ammonium Hydroxide Solvents: Methanol,Water4.1 Catalysts: P-Toluenesulfonic Acid Solvents: Dichloromethane5.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran6.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane7.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

51481-10-8 = 88337-96-6 + 56676-60-9
反应条件:1.1 Reagents: Pyridine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane; Rt; Overnight,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Rt
标题:Stereoselective Luche Reduction Of Deoxynivalenol And Three Of Its Acetylated Derivatives At C8
作者:Fruhmann,Philipp; Et Al
参考文献:Toxins 日期:2014 卷标:6(1) 页码:325-336]

51481-10-8 = 88337-96-6 + 56676-60-9
反应条件:1.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

115032-23-0 = 88337-96-6 + 50722-38-8
反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

51481-10-8 = 88337-96-6 + 50722-38-8
反应条件:1.1 Catalysts: Pyridine Solvents: Dichloromethane
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2]

50722-38-8 = 88337-96-6 + 56676-60-9
反应条件:1.1 Reagents: Sodium Methoxide Solvents: Methanol; 2 H,Rt2.1 Catalysts: 4-(Dimethylamino)Pyridine Solvents: Pyridine; Rt; Overnight,Rt2.2 Reagents: Hydrochloric Acid Solvents: Water; Rt
标题:Sulfation Of Deoxynivalenol,Its Acetylated Derivatives,And T2-Toxin
作者:Fruhmann,Philipp; Et Al
参考文献:Tetrahedron 日期:2014 卷标:70(34) 页码:5260-5266]

50722-38-8 = 88337-96-6 + 56676-60-9
反应条件:1.1 Reagents: Sodium Methoxide Solvents: Methanol; 1.5 H,Rt2.1 Reagents: Pyridine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane; Rt; Overnight,Rt2.2 Reagents: Hydrochloric Acid Solvents: Water; Rt
标题:Stereoselective Luche Reduction Of Deoxynivalenol And Three Of Its Acetylated Derivatives At C8
作者:Fruhmann,Philipp; Et Al
参考文献:Toxins 日期:2014 卷标:6(1) 页码:325-336]

50722-38-8 = 88337-96-6 + 56676-60-9
反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Methanol,Water2.1 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane
标题:Preparation Of 10-G Quantities Of 15-O-Acetyl-4-Deoxynivalenol
作者:Grove,John Frederick; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3860-2

📜S-Acetyl Coenzyme A,脱氧雪腐镰刀菌烯醇置于recombinant Tri3体系中,用 Tris-Hcl 作为反应溶剂,化学反应 1.0H,反应生成 15-O-乙酰脱氧瓜萎镰菌醇
参考文献:4-O-Acetylation And 3-O-Acetylation Of Trichothecenes By Trichothecene 15-O-Acetyltransferase Encoded Byfusarium Tri3
标题:4-O-Acetylation And 3-O-Acetylation Of Trichothecenes By Trichothecene 15-O-Acetyltransferase Encoded Byfusarium Tri3
摘要:在镰刀菌毒素的生物合成中,Isotrichodermol 的 C-3 羟基必须通过 Tri101 乙酰化,以便后续通路基因发挥功能.尽管这一 3-O-乙酰化步骤在生物合成中至关重要,但 Tri101 在物理和进化上都与萎蔫酸基因簇中的其他 Tri 基因无关.为了深入了解该基因簇的进化历史,我们纯化了其中一种编码萎蔫酸 O-乙酰基转移酶的基因簇 Tri3(rtri3),并检测了这种 15-O-乙酰基转移酶是否能将乙酰基添加到 Isotrichodermol 的 C-3 羟基上.当在检测中使用高浓度的 Rtri3 时(最终浓度为 50 μm),我们观测到对 Isotrichodermol 的 3-O-乙酰化活性,其效率比对 15-去乙酰甲虫素已知的 15-O-乙酰化活性低 105 倍以上.当以雪腐镰刀菌烯醇作为底物时,Rtri3 蛋白还表现出 4-O-乙酰化活性;除了 15-乙酰雪腐镰刀菌烯醇外,在高酶浓度下还检测到二乙酰化衍生物 4,15-二乙酰雪腐镰刀菌烯醇,以及较少程度的 3,15-二乙酰雪腐镰刀菌烯醇.本文讨论了在 Rtri3 中检测到的微量萎蔫酸 3-O-乙酰基转移酶活性与萎蔫酸基因簇进化之间的关系.
DOI:10.1271/bbb.80501

海关参考信息

2901210000-乙烯
2901220000-丙烯
2905122000-异丙醇
2905143000-叔丁醇
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详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:CN-119391806-A
优先权日:2024-11-11
标题 :Method for identifying compound for inhibiting synthesis of vomitoxin of wheat stem rot pathogen

专利号:CN-119082227-B
优先权日:2024-11-06
标题:Application of wheat metabolite in inducing fusarium graminearum toxin synthesis

专利号:CN-119082227-A
优先权日:2024-11-06
标题:Application of wheat metabolite in inducing fusarium graminearum toxin synthesis

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主要参考文献

参考标题:Sulfation Of Deoxynivalenol, Its Acetylated Derivatives, And T2-Toxin
作者:Philipp Fruhmann,Philipp Skrinjar,Julia Weber,Hannes Mikula,Benedikt Warth,Michael Sulyok,Rudolf Krska,Gerhard Adam,Erwin Rosenberg,Christian Hametner,Johannes Fröhlich |发布日期:2014.8
摘要:The Synthesis Of Several Sulfates Of Trichothecene Mycotoxins Is Presented. Deoxynivalenol (Don) And Its Acetylated Derivatives Were Synthesized From 3-Acetyldeoxynivalenol (3Adon) And Used As Substrate For Sulfation In Order To Reach A Series Of Five Different Don-Based Sulfates As Well As T2-Toxin-3-Sulfate. These Substances Are Suspected To Be Formed During Phase-Ii Metabolism In Plants And Humans

合成参考文献

参考文献:10.1021/jf00064a046
摘要:Witt MF, Hart LP, Pestka JJ. Purification of deoxynivalenol (vomitoxin) by water-saturated silica gel chromatography. J. Agric. Food Chem. 1985 Jul;33(4):745–8. doi: 10.1021/jf00064a046.

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