(3S,10S,13R,14R,17R)-17-[(2S,3R)-3-羟基-6-甲基庚-5-烯-2-基]-4,4,10,13,14-五甲基-2,3,5,6,7,11,12,15,16,17-十氢-1H-环戊二烯并[a]菲-3-醇
[CAS# 35963-37-2]

基本信息

• 产品名称: (3S,10S,13R,14R,17R)-17-[(2S,3R)-3-羟基-6-甲基庚-5-烯-2-基]-4,4,10,13,14-五甲基-2,3,5,6,7,11,12,15,16,17-十氢-1H-环戊二烯并[a]菲-3-醇
• 英文名: (3S,10S,13R,14R,17R)-17-[(2S,3R)-3-Hydroxy-6-Methylhept-5-En-2-Yl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• 别名: (3S,10S,13R,14R,17R)-17-[(1S,2R)-2-Hydroxy-1,5-Dimethyl-Hex-4-Enyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,10S,13R,14R,17R)-17-[(1S,2R)-2-Hydroxy-1,5-Dimethylhex-4-Enyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,10S,13R,14R,17R)-17-[(2S,3R)-3-Hydroxy-6-Methyl-Hept-5-En-2-Yl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• 分子式: C₃₀H₅₀O₂
• 分子量: 442.72
• CAS 登录号: 35963-37-2
• 分子行输入简码 SMILES: [C@]34([C@](C2=C([C@@]1(C(C([C@@H](O)CC1)(C)C)CC2)C)CC3)(CC[C@@H]4[C@@H]([C@H](O)CC=C(C)C)C)C)C
• 国际化学标识码 InChI: 1S/C30H50O2/c1-19(2)9-11-24(31)20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h9,20-21,24-26,31-32H,10-18H2,1-8H3/t20-,21+,24+,25?,26-,28+,29+,30-/m0/s1
• 国际化学标识检索码 InChIKey: KKWJCGCIAHLFNE-UJHWODAZSA-N

物理化学性质

• 密度: 1.03g/cm³ （计算值）
• 沸点: 534.324°C at 760 mmHg （计算值）
• 闪点: 215.582°C （计算值）