(1S,3R,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-[(E,2R)-6-羟基-5,5,6-三甲基庚-3-烯-2-基]-7alpha-甲基-2,3,3a,5,6,7-六氢-1H-茚-4-亚基]亚乙基]-4-亚甲基环己烷-1,3-二醇
[CAS# 104211-73-6]

基本信息

• 产品名称: (1S,3R,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-[(E,2R)-6-羟基-5,5,6-三甲基庚-3-烯-2-基]-7alpha-甲基-2,3,3a,5,6,7-六氢-1H-茚-4-亚基]亚乙基]-4-亚甲基环己烷-1,3-二醇
• 英文名: (1S,3R,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-[(E,2R)-6-Hydroxy-5,5,6-Trimethylhept-3-En-2-Yl]-7alpha-Methyl-2,3,3a,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidenecyclohexane-1,3-Diol
• 别名: (1S,3R,5Z)-5-[(2E)-2-[(1S,3As,7Ar)-1-[(E,1R)-5-Hydroxy-1,4,4,5-Tetramethyl-Hex-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1S,3R,5Z)-5-[(2E)-2-[(1S,3As,7Ar)-1-[(E,1R)-5-Hydroxy-1,4,4,5-Tetramethylhex-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1S,3R,5Z)-5-[(2E)-2-[(1S,3As,7Ar)-1-[(E,2R)-6-Hydroxy-5,5,6-Trimethyl-Hept-3-En-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• 分子式: C₂₉H₄₆O₃
• 分子量: 442.68
• CAS 登录号: 104211-73-6
• 分子行输入简码 SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C([C@H](O)C[C@@H](O)C2)=C)CC[C@H]3[C@@H](\C=C\C(C(O)(C)C)(C)C)C)C
• 国际化学标识码 InChI: 1S/C29H46O3/c1-19(14-16-27(3,4)28(5,6)32)24-12-13-25-21(9-8-15-29(24,25)7)10-11-22-17-23(30)18-26(31)20(22)2/h10-11,14,16,19,23-26,30-32H,2,8-9,12-13,15,17-18H2,1,3-7H3/b16-14+,21-10+,22-11-/t19-,23+,24+,25+,26-,29-/m1/s1
• 国际化学标识检索码 InChIKey: GCSPQHJHCMOZGJ-XDTVPYGMSA-N

物理化学性质

• 密度: 1.059g/cm³ （计算值）
• 沸点: 584.041°C at 760 mmHg （计算值）
• 闪点: 242.381°C （计算值）