(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R)-3-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-3,7-二醇
[CAS# 104786-66-5]

基本信息

• 产品名称: (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R)-3-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-3,7-二醇
• 英文名: (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R)-3-Hydroxy-6-Methylheptan-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-[(1S,2R)-2-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-[(1S,2R)-2-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-[(2S,3R)-3-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: 104786-66-5
• 分子行输入简码 SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H]([C@H](O)CCC(C)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/c1-16(2)6-9-23(29)17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19-,20+,21-,22-,23+,24+,25-,26-,27+/m0/s1
• 国际化学标识检索码 InChIKey: ULLWYOKOOHAYDJ-SDLILUQASA-N

物理化学性质

• 密度: 1.081g/cm³ （计算值）
• 沸点: 548.471°C at 760 mmHg （计算值）
• 闪点: 230.511°C （计算值）