(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-二羟基-17-[(2R)-7-羟基-6-甲基庚烷-2-基]-10,13-二甲基-1,2,4,5,6,7,8,9,11,12,14,15,16,17-十四氢环戊烯并[a]菲-3-酮
[CAS# 78094-12-9]

基本信息

• 产品名称: (5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-二羟基-17-[(2R)-7-羟基-6-甲基庚烷-2-基]-10,13-二甲基-1,2,4,5,6,7,8,9,11,12,14,15,16,17-十四氢环戊烯并[a]菲-3-酮
• 英文名: (5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-17-[(2R)-7-Hydroxy-6-Methylheptan-2-Yl]-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-One
• 别名: (5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-17-[(1R)-6-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One; (5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-17-[(1R)-6-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One; (5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-17-[(2R)-7-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One
• 分子式: C₂₇H₄₆O₄
• 分子量: 434.66
• CAS 登录号: 78094-12-9
• 分子行输入简码 SMILES: [C@@H]4([C@@H](CCCC(CO)C)C)[C@@]3([C@H]([C@@H]2[C@@H](C[C@@H]1CC(CC[C@@]1([C@H]2C[C@@H]3O)C)=O)O)CC4)C
• 国际化学标识码 InChI: 1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-18,20-25,28,30-31H,5-15H2,1-4H3/t16?,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• 国际化学标识检索码 InChIKey: UCVRZTRGVBWBPR-SSGCBCEYSA-N

物理化学性质

• 密度: 1.094g/cm³ （计算值）
• 沸点: 571.06°C at 760 mmHg （计算值）
• 闪点: 313.213°C （计算值）