(3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-17-[(2R,5S)-5,6-二羟基-6-甲基-庚烷-2-基]-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊并[a]菲-3,7,12-三醇
[CAS# 58580-61-3]

基本信息

• 产品名称: (3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-17-[(2R,5S)-5,6-二羟基-6-甲基-庚烷-2-基]-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊并[a]菲-3,7,12-三醇
• 英文名: (3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-17-[(2R,5S)-5,6-Dihydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-3,7,12-Triol
• 别名: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R,4S)-4,5-Dihydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol; (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R,4S)-4,5-Dihydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol; (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,5S)-5,6-Dihydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol
• 分子式: C₂₇H₄₈O₅
• 分子量: 452.67
• CAS 登录号: 58580-61-3
• 分子行输入简码 SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@H](C[C@H]1O)C[C@@H](CC2)O)C)C[C@@H]3O)CC[C@@H]4[C@@H](CC[C@@H](C(O)(C)C)O)C)C
• 国际化学标识码 InChI: 1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
• 国际化学标识检索码 InChIKey: NHPWQASMMFUHIZ-YBMOUMCLSA-N

物理化学性质

• 密度: 1.145g/cm³ （计算值）
• 沸点: 610.492°C at 760 mmHg （计算值）
• 闪点: 257.986°C （计算值）