(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-羟基-6-甲基-庚烷-2-基]-10,13-二甲基-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊烯并[a]菲-3,7-二醇
[CAS# 4725-24-0]

基本信息

• 产品名称: (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-羟基-6-甲基-庚烷-2-基]-10,13-二甲基-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊烯并[a]菲-3,7-二醇
• 英文名: (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,7-Diol
• 别名: (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-6-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-6-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol
• 分子式: C₂₇H₄₆O₃
• 分子量: 418.66
• CAS 登录号: 4725-24-0
• 分子行输入简码 SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(CO)C)C)(CC[C@@H]2[C@@]4(C(=C[C@H]3O)C[C@@H](O)CC4)C)C
• 国际化学标识码 InChI: 1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17?,18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1
• 国际化学标识检索码 InChIKey: RXMHNAKZMGJANZ-DTTSCKGMSA-N

物理化学性质

• 密度: 1.083g/cm³ （计算值）
• 沸点: 552.622°C at 760 mmHg （计算值）
• 闪点: 232.641°C （计算值）