CAS: 65497-07-6; (2S,4Ar,6As,6Br,8Ar,9R,10R,11S,12Ar,12Br,14Bs)-10-(((2S,3R,4R,5R)-3,4-Dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Tetrahydro-2H-Pyran-2-yl)Oxy)-11-Hydroxy-9-(Hydroxymethyl)-2-(Methoxycarbonyl)-2,6A,6B,9,12

• 英文名称(2S,4Ar,6As,6Br,8Ar,9R,10R,11S,12Ar,12Br,14Bs)-10-(((2S,3R,4R,5R)-3,4-Dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Tetrahydro-2H-Pyran-2-yl)Oxy)-11-Hydroxy-9-(Hydroxymethyl)-2-(Methoxycarbonyl)-2,6A,6B,9,12
• 中文名称商陆皂苷甲
• IUPAC名称(2S,4aR,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-10-(((2S,3R,4R,5R)-3,4-dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
• 其它别名Esculentoside A; Esculentoside; (2B,3B,4A,20B)-3-((4-O-Beta-D-Glucopyranosyl-Beta-D-Xylopyranosyl)Oxy)-2,23-Dihydroxyolean-12-Ene-28,29-Dioic Acid 29-Methyl Ester; Phytolaccasaponin E; Esculentoside A, , From Phytolacca Acinosa Roxb.; Olean-12-Ene-28,29-Dioic Acid, 3-[(4-O-β-D-Glucopyranosyl-β-D-Xylopyranosyl)Oxy]-2,23-Dihydroxy-, 29-Methyl Ester, (2β,3β,4α,20β)-; Esculentoside A Usp/ep/bp; (2S,4Ar,6As,6Br,8Ar,9R,10R,11S,12Ar,12Br,14Bs)-10-(((2S,3R,4R,5R)-3,4-Dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Tetrahydro-2H-Pyran-2-yl)Oxy)-11-Hydroxy-9-(Hydroxymethyl)-2-(Methoxycarbonyl)-2,6A,6B,9,12
• CAS编号65497-07-6
• MFCD编号:MFCD27980582
• EINECS号:683-197-1
• FDA UNII编号:JT3XUF9LU9
• 分子式:C42H66O16
• 分子量:826.97
• 产品CID: 1636958
• 产品分类生物化工

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: ZMXKPCHQLHYTHY-OWRBLJEPSA-N
• InChI=1S/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)58-…
• 计算化学: 氢键受体数16.0氢键供体数9.0可旋转键数9.0

物理性质

• 熔点>192°C (分解)
• 沸点936.7±65.0 °C(预测)
• 闪点275.3 °C
• 密度1.42±0.1 g/cm3(预测)
• pKa:4.39±0.70(预测)
• PSA:262.36
• LogP:0.6174
• 折射率1.619
• 蒸汽压0 mmHg at 25 °C
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 外观形态淡黄色固体
• 储存条件防潮, -20°C 冰箱, 在惰性气其中
• 产品应用该化合物用作定量分析,鉴定和药理研究;通过抑制发炎性细胞皮生产和无释放,减轻LPS引起的急性肺损伤;通过NRF2激活,抑制氧化性应激过敏性空气道炎;抑制肿瘤细胞扩散和肾细胞扩散;诱发血囊中毒;调节活体中发炎细胞素;有选择地抑制环氧酶-2(COX-2);抑制NF-B和MAPK信号路径.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
• 防范说明P264-P270-P301+P312-P330-P501
• 安全声明24/25
• WGK Germany3

欧盟法规

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
• 💡 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