2-[(3aR,5aR,6S,7S,9aR,9bS)-6-(2-甲氧基-2-氧代乙基)-3a-甲基-3-(6-甲基庚烷-2-基)-1,2,3,4,5,5a,6,7,8,9,9a,9b-十二氢环戊烯并[f]萘-7-基]乙酸
[CAS# 1178-00-3]

基本信息

• 产品名称: 2-[(3aR,5aR,6S,7S,9aR,9bS)-6-(2-甲氧基-2-氧代乙基)-3a-甲基-3-(6-甲基庚烷-2-基)-1,2,3,4,5,5a,6,7,8,9,9a,9b-十二氢环戊烯并[f]萘-7-基]乙酸
• 英文名: 2-[(3aR,5aR,6S,7S,9aR,9bS)-6-(2-Methoxy-2-Oxoethyl)-3a-Methyl-3-(6-Methylheptan-2-Yl)-1,2,3,4,5,5a,6,7,8,9,9a,9b-Dodecahydrocyclopenta[f]Naphthalen-7-Yl]Acetic Acid
• 别名: 2-[(3Ar,5Ar,6S,7S,9Ar,9Bs)-3-(1,5-Dimethylhexyl)-6-(2-Methoxy-2-Oxo-Ethyl)-3A-Methyl-1,2,3,4,5,5A,6,7,8,9,9A,9B-Dodecahydrocyclopenta[F]Naphthalen-7-Yl]Acetic Acid; 2-[(3Ar,5Ar,6S,7S,9Ar,9Bs)-3-(1,5-Dimethylhexyl)-6-(2-Methoxy-2-Oxoethyl)-3A-Methyl-1,2,3,4,5,5A,6,7,8,9,9A,9B-Dodecahydrocyclopenta[F]Naphthalen-7-Yl]Acetic Acid; 2-[(3Ar,5Ar,6S,7S,9Ar,9Bs)-3-(1,5-Dimethylhexyl)-6-(2-Keto-2-Methoxy-Ethyl)-3A-Methyl-1,2,3,4,5,5A,6,7,8,9,9A,9B-Dodecahydrocyclopenta[F]Naphthalen-7-Yl]Acetic Acid
• 分子式: C₂₇H₄₆O₄
• 分子量: 434.66
• CAS 登录号: 1178-00-3
• 分子行输入简码 SMILES: [C@@H]12CCC([C@]1(CC[C@H]3[C@H]2CC[C@H]([C@@H]3CC(=O)OC)CC(=O)O)C)C(CCCC(C)C)C
• 国际化学标识码 InChI: 1S/C27H46O4/c1-17(2)7-6-8-18(3)23-11-12-24-21-10-9-19(15-25(28)29)22(16-26(30)31-5)20(21)13-14-27(23,24)4/h17-24H,6-16H2,1-5H3,(H,28,29)/t18?,19-,20-,21+,22-,23?,24-,27+/m0/s1
• 国际化学标识检索码 InChIKey: RCIKMGJXOLVLBU-DUSSVLROSA-N

物理化学性质

• 密度: 1.006g/cm³ （计算值）
• 沸点: 528.62°C at 760 mmHg （计算值）
• 闪点: 164.082°C （计算值）