(1S,3R,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-[(2R)-6-羟基-6-甲基辛烷-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# 105687-81-8]

基本信息

• 产品名称: (1S,3R,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-[(2R)-6-羟基-6-甲基辛烷-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-[(2R)-6-Hydroxy-6-Methyloctan-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-[(1R)-5-Hydroxy-1,5-Dimethyl-Heptyl]-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-[(1R)-5-Hydroxy-1,5-Dimethylheptyl]-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-[(2R)-6-Hydroxy-6-Methyl-Octan-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: C₂₈H₄₆O₃
• 分子量: 430.67
• CAS 登录号: 105687-81-8
• 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](CCCC(O)(CC)C)C)C
• 国际化学标识码 InChI: 1S/C28H46O3/c1-6-27(4,31)15-7-9-19(2)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)3/h11-12,19,23-26,29-31H,3,6-10,13-18H2,1-2,4-5H3/b21-11+,22-12-/t19-,23+,24+,25+,26-,27?,28-/m1/s1
• 国际化学标识检索码 InChIKey: QRBVGIIEIQPZJM-NCHYQVLXSA-N

物理化学性质

• 密度: 1.055g/cm³ （计算值）
• 沸点: 575.634°C at 760 mmHg （计算值）
• 闪点: 240.469°C （计算值）