(2R)-2-[(3S,5S,6S,8S,10S,13R,14S,17R)-3,6-二羟基-10,13-二甲基-2,3,4,5,6,7,8,12,14,15,16,17-十二氢-1H-环戊二烯并[a]菲-17-基]-6-甲基庚烷-4-酮
[CAS# 34218-94-5]

基本信息

• 产品名称: (2R)-2-[(3S,5S,6S,8S,10S,13R,14S,17R)-3,6-二羟基-10,13-二甲基-2,3,4,5,6,7,8,12,14,15,16,17-十二氢-1H-环戊二烯并[a]菲-17-基]-6-甲基庚烷-4-酮
• 英文名: (2R)-2-[(3S,5S,6S,8S,10S,13R,14S,17R)-3,6-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-6-Methylheptan-4-One
• 别名: (2R)-2-[(3S,5S,6S,8S,10S,13R,14S,17R)-3,6-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-6-Methyl-Heptan-4-One; Cholest-9(11)-En-23-One, 3,6-Dihydroxy-, (3Beta,5Alpha,6Alpha)-; Dihydromarthasterone
• 分子式: C₂₇H₄₄O₃
• 分子量: 416.64
• CAS 登录号: 34218-94-5
• 分子行输入简码 SMILES: [C@H]12[C@H]3C(=CC[C@@]1([C@H](CC2)[C@@H](CC(=O)CC(C)C)C)C)[C@@]4([C@@H]([C@@H](O)C3)C[C@@H](O)CC4)C
• 国际化学标识码 InChI: 1S/C27H44O3/c1-16(2)12-19(29)13-17(3)21-6-7-22-20-15-25(30)24-14-18(28)8-10-27(24,5)23(20)9-11-26(21,22)4/h9,16-18,20-22,24-25,28,30H,6-8,10-15H2,1-5H3/t17-,18+,20+,21-,22+,24-,25+,26-,27-/m1/s1
• 国际化学标识检索码 InChIKey: WCONBNFLHMTKFI-GNGILNPGSA-N

物理化学性质

• 密度: 1.079g/cm³ （计算值）
• 沸点: 540.164°C at 760 mmHg （计算值）
• 闪点: 294.549°C （计算值）