(5R,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-乙基-6-甲基庚烷-2-基]-10,13-二甲基-1,2,4,5,6,9,11,12,14,15,16,17-十二氢环戊烯并[a]菲-3-酮
[CAS# 137567-08-9]

基本信息

• 产品名称: (5R,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-乙基-6-甲基庚烷-2-基]-10,13-二甲基-1,2,4,5,6,9,11,12,14,15,16,17-十二氢环戊烯并[a]菲-3-酮
• 英文名: (5R,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-Ethyl-6-Methylheptan-2-Yl]-10,13-Dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
• 别名: (5R,9R,10S,13R,14R,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (5R,9R,10S,13R,14R,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (5R,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-Ethyl-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One
• 分子式: C₂₉H₄₈O
• 分子量: 412.70
• CAS 登录号: 137567-08-9
• 分子行输入简码 SMILES: [C@H]12[C@@]([C@H](CC1)[C@@H](CC[C@H](C(C)C)CC)C)(CC[C@H]3C2=CC[C@H]4[C@@]3(CCC(=O)C4)C)C
• 国际化学标识码 InChI: 1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-22,25-27H,7-10,12-18H2,1-6H3/t20-,21-,22-,25-,26+,27+,28+,29-/m1/s1
• 国际化学标识检索码 InChIKey: JWANJDUXWSJWER-QEHLSLKGSA-N

物理化学性质

• 密度: 0.975g/cm³ （计算值）
• 沸点: 498.537°C at 760 mmHg （计算值）
• 闪点: 208.036°C （计算值）