苦绳甙元I
[CAS# 125310-02-3]

基本信息

• 产品名称: 苦绳甙元I
• 英文名: Drevogenin I
• 别名: 5-Hydroxy-3-Methyl-5-[(3S,5S,9R,10S,12R,13R,14R,17R)-3,8,12,14,17-Pentahydroxy-12-(4-Hydroxy-2-Methyl-4-Oxo-Butyl)-10,13-Dimethyl-2,3,4,5,6,7,9,11,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Hexanoic Acid; 5-Hydroxy-3-Methyl-5-[(3S,5S,9R,10S,12R,13R,14R,17R)-3,8,12,14,17-Pentahydroxy-12-(4-Hydroxy-4-Keto-2-Methyl-Butyl)-10,13-Dimethyl-2,3,4,5,6,7,9,11,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Hexanoic Acid; 3,8,14,17-Tetrahydroxy-12-O-Isovaleryl-20-O-Isovalerylpregnane
• 分子式: C₃₁H₅₂O₁₀
• 分子量: 584.75
• CAS 登录号: 125310-02-3
• 分子行输入简码 SMILES: [C@@H]1(CC[C@]3([C@H](C1)CCC4([C@]2(CC[C@](C(C)(O)CC(CC(=O)O)C)([C@@]2(C)[C@@](C[C@H]34)(O)CC(CC(=O)O)C)O)O)O)C)O
• 国际化学标识码 InChI: 1S/C31H52O10/c1-18(12-23(33)34)15-26(4,37)30(40)10-11-31(41)27(30,5)28(38,16-19(2)13-24(35)36)17-22-25(3)8-7-21(32)14-20(25)6-9-29(22,31)39/h18-22,32,37-41H,6-17H2,1-5H3,(H,33,34)(H,35,36)/t18?,19?,20-,21-,22+,25-,26?,27+,28+,29?,30-,31+/m0/s1
• 国际化学标识检索码 InChIKey: OTZYYNTXVLTKKL-KVKDWLGPSA-N

物理化学性质

• 密度: 1.342g/cm³ （计算值）
• 沸点: 767.261°C at 760 mmHg （计算值）
• 闪点: 431.741°C （计算值）