CAS: 191729-44-9; (1R,3Ar,4As,6As,8S,10As,10Bs,11S,12S,12As)-12-Acetoxy-1-Acetyl-8-(((2R,4R,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-Dihydroxy-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-10A,12A-Dimethyltetradecahydro-1H-Cyclopenta[1,2]Phenanthro[1,10A-B]Oxiren-11-Yl Benzoate

• 英文名称(1R,3Ar,4As,6As,8S,10As,10Bs,11S,12S,12As)-12-Acetoxy-1-Acetyl-8-(((2R,4R,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-Dihydroxy-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-10A,12A-Dimethyltetradecahydro-1H-Cyclopenta[1,2]Phenanthro[1,10A-B]Oxiren-11-Yl Benzoate
• 中文名称通关藤苷I
• IUPAC名称(1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-12-acetoxy-1-acetyl-8-(((2R,4R,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxiren-11-yl benzoate
• 其它别名(3Beta,5Alpha,11Alpha,12Beta,14Beta,17Alpha)-12-(Acetyloxy)-11-(Benzoyloxy)-3-[[2,6-Dideoxy-4-O-(6-Deoxy-3-O-Methyl-Beta-D-Allopyranosyl)-3-O-Methyl-Beta-D-Arabino-Hexopyranosyl]Oxy]-8,14-Epoxypregnan-20-One; Tenacissimoside B; Teacissoside I; Tenacissoside I; Pregnan-20-One, 12-(Acetyloxy)-11-(Benzoyloxy)-3-[[2,6-Dideoxy-4-O-(6-Deoxy-3-O-Methyl-β-D-Allopyranosyl)-3-O-Methyl-β-D-Arabino-Hexopyranosyl]Oxy]-8,14-Epoxy-, (3β,5α,11α,12β,14β,17α)-; Tenacissoside Impurity 2; Tenacissoside I, 10 Mm In Dmso; Tecissoside I
• CAS编号191729-44-9
• MFCD编号:MFCD22417327
• 分子式:C44H62O14分子量:814.97
• 产品CID: 971358
• 产品分类天然产物 → 甾体化合物

• 相似结构搜索
• InChIKey: HXIHLBDNTFYMIC-ROIFRVDESA-N
• InChI=1S/C44H62O14/c1-22(45)29-16-19-44-42(29,6)38(54-25(4)46)36(56-39(49)26-12-10-9-11-13-26)37-41(5)17-15-28(20-27(41)14-18-43(37,44)58-44)55-31-21-30(50-7)34(24(3)52-3
• 计算化学: 氢键受体数14.0氢键供体数2.0可旋转键数12.0

物理性质

• 沸点850.8±65.0 °C at 760 mmHg
• 闪点247.2±27.8 °C
• 密度1.3±0.1 g/cm3
• pKa:12.89±0.70(预测)
• PSA:178.04
• LogP:5.34
• 折射率1.580
• 蒸汽压0.0±0.3 mmHg at 25°C
• 外观形态白色至类白色固体
• 储存条件2-8C
• 产品应用该化合物是一种C21杀血剂化合物,产自* MARSDENIA TENCISIMA*,其含量相对较高;它显示出生物活动.

MSDS等安全信息

• 警示词warning
• 危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
• 防范说明P264Thoroughly clean after treatmentP280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective maskP305If it enters the eyesP351Rinse carefully with water for a few minutesP338Remove the contact lens(If any)And easy to operate,Continue flushingP337If eye irritation persistsP313Obtain medical advice/care
• 安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body

合成工艺路线路线简述

海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管