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
[CAS# 1178-00-3]

Identification

• Name: 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
• Synonyms: 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
• Molecular Formula: C₂₇H₄₆O₄
• Molecular Weight: 434.66
• CAS Registry Number: 1178-00-3
• 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
• 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
• InChIKey: RCIKMGJXOLVLBU-DUSSVLROSA-N

Properties

• Density: 1.006g/cm³ (Cal.)
• Boiling point: 528.62°C at 760 mmHg (Cal.)
• Flash point: 164.082°C (Cal.)