(1S,3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-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-环戊二烯并[a]菲-1,3-二醇
[CAS# 50392-32-0]

基本信息

• 产品名称: (1S,3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-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-环戊二烯并[a]菲-1,3-二醇
• 英文名: (1S,3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-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-1,3-Diol
• 别名: (1S,3R,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-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-1,3-Diol; (1S,3R,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-1,3-Diol; (1S,3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-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-1,3-Diol
• 分子式: C₂₇H₄₆O₃
• 分子量: 418.66
• CAS 登录号: 50392-32-0
• 分子行输入简码 SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)C[C@@H]2O)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(O)(C)C)C)C
• 国际化学标识码 InChI: 1S/C27H46O3/c1-17(7-6-13-25(2,3)30)21-10-11-22-20-9-8-18-15-19(28)16-24(29)27(18,5)23(20)12-14-26(21,22)4/h8,17,19-24,28-30H,6-7,9-16H2,1-5H3/t17-,19-,20+,21-,22+,23+,24+,26-,27+/m1/s1
• 国际化学标识检索码 InChIKey: WPCGHPRVQQXAMT-FDRPCONVSA-N

物理化学性质

• 密度: 1.083g/cm³ （计算值）
• 沸点: 547.111°C at 760 mmHg （计算值）
• 闪点: 229.812°C （计算值）