(3S,5S,9R,10S,13R)-3-羟基-17-[(2R)-5-羟基-6-甲基庚烷-2-基]-10,13-二甲基-1,2,3,4,5,6,7,9,11,12,16,17-十二氢环戊烯并[a]菲-15-酮
[CAS# 120171-12-2]

基本信息

• 产品名称: (3S,5S,9R,10S,13R)-3-羟基-17-[(2R)-5-羟基-6-甲基庚烷-2-基]-10,13-二甲基-1,2,3,4,5,6,7,9,11,12,16,17-十二氢环戊烯并[a]菲-15-酮
• 英文名: (3S,5S,9R,10S,13R)-3-Hydroxy-17-[(2R)-5-Hydroxy-6-Methylheptan-2-Yl]-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[a]Phenanthren-15-One
• 别名: (3S,5S,9R,10S,13R)-3-Hydroxy-17-[(1R)-4-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-15-One; (3S,5S,9R,10S,13R)-3-Hydroxy-17-[(1R)-4-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-15-One; (3S,5S,9R,10S,13R)-3-Hydroxy-17-[(2R)-5-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-15-One
• 分子式: C₂₇H₄₄O₃
• 分子量: 416.64
• CAS 登录号: 120171-12-2
• 分子行输入简码 SMILES: [C@@H]13[C@@]4([C@@H](CCC1=C2[C@@](C(CC2=O)[C@@H](CCC(O)C(C)C)C)(CC3)C)C[C@@H](O)CC4)C
• 国际化学标识码 InChI: 1S/C27H44O3/c1-16(2)23(29)9-6-17(3)22-15-24(30)25-20-8-7-18-14-19(28)10-12-26(18,4)21(20)11-13-27(22,25)5/h16-19,21-23,28-29H,6-15H2,1-5H3/t17-,18+,19+,21+,22?,23?,26+,27-/m1/s1
• 国际化学标识检索码 InChIKey: JHMBRHJGBMZVML-CJFOSOAPSA-N

物理化学性质

• 密度: 1.081g/cm³ （计算值）
• 沸点: 549.588°C at 760 mmHg （计算值）
• 闪点: 300.242°C （计算值）