(1S)-5-[(Z)-2-[(1R,3aR,7aS)-2-Ethyl-1-[(5S)-5-Hydroxyheptyl]-4,7a-Dimethyl-2,3,3a,5,6,7-Hexahydro-1H-Inden-4-Yl]Ethenyl]-4-Methylcyclohexa-2,4-Dien-1-Ol
[CAS# 116925-40-7]

Identification

• Name: (1S)-5-[(Z)-2-[(1R,3aR,7aS)-2-Ethyl-1-[(5S)-5-Hydroxyheptyl]-4,7a-Dimethyl-2,3,3a,5,6,7-Hexahydro-1H-Inden-4-Yl]Ethenyl]-4-Methylcyclohexa-2,4-Dien-1-Ol
• Synonyms: (1S)-5-[(Z)-2-[(1R,3Ar,7As)-2-Ethyl-1-[(5S)-5-Hydroxyheptyl]-4,7A-Dimethyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Yl]Vinyl]-4-Methyl-Cyclohexa-2,4-Dien-1-Ol; (1S)-5-[(Z)-2-[(1R,3Ar,7As)-2-Ethyl-1-[(5S)-5-Hydroxyheptyl]-4,7A-Dimethyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Yl]Vinyl]-4-Methyl-1-Cyclohexa-2,4-Dienol; (1S)-5-[(Z)-2-[(1R,3Ar,7As)-2-Ethyl-1-[(5S)-5-Hydroxyheptyl]-4,7A-Dimethyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Yl]Ethenyl]-4-Methyl-Cyclohexa-2,4-Dien-1-Ol
• Molecular Formula: C₂₉H₄₈O₂
• Molecular Weight: 428.70
• CAS Registry Number: 116925-40-7
• SMILES: [C@@H]12[C@]([C@@H](C(C1)CC)CCCC[C@@H](O)CC)(CCCC2(\C=C/C3=C(C=C[C@@H](O)C3)C)C)C
• InChI: 1S/C29H48O2/c1-6-22-20-27-28(4,18-15-23-19-25(31)14-13-21(23)3)16-10-17-29(27,5)26(22)12-9-8-11-24(30)7-2/h13-15,18,22,24-27,30-31H,6-12,16-17,19-20H2,1-5H3/b18-15-/t22?,24-,25+,26+,27+,28?,29-/m0/s1
• InChIKey: PYGGFMISRIMKTA-IBSHMIGKSA-N

Properties

• Density: 1.023g/cm³ (Cal.)
• Boiling point: 541.663°C at 760 mmHg (Cal.)
• Flash point: 221.167°C (Cal.)