(1S)-3-[(Z)-2-[(1R,3aR,7aR)-7a-Methyl-1-[(2R)-6-Methylheptan-2-Yl]-1,2,3,3a,6,7-Hexahydroinden-4-Yl]Ethenyl]-4-Methylcyclohex-3-En-1-Ol
[CAS# 1173-13-3]

Identification

• Name: (1S)-3-[(Z)-2-[(1R,3aR,7aR)-7a-Methyl-1-[(2R)-6-Methylheptan-2-Yl]-1,2,3,3a,6,7-Hexahydroinden-4-Yl]Ethenyl]-4-Methylcyclohex-3-En-1-Ol
• Synonyms: (1S)-3-[(Z)-2-[(1R,3Ar,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-1,2,3,3A,6,7-Hexahydroinden-4-Yl]Vinyl]-4-Methyl-Cyclohex-3-En-1-Ol; (1S)-3-[(Z)-2-[(1R,3Ar,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-1,2,3,3A,6,7-Hexahydroinden-4-Yl]Vinyl]-4-Methyl-1-Cyclohex-3-Enol; (1S)-3-[(Z)-2-[(1R,3Ar,7Ar)-7A-Methyl-1-[(2R)-6-Methylheptan-2-Yl]-1,2,3,3A,6,7-Hexahydroinden-4-Yl]Ethenyl]-4-Methyl-Cyclohex-3-En-1-Ol
• Molecular Formula: C₂₇H₄₄O
• Molecular Weight: 384.64
• CAS Registry Number: 1173-13-3
• EINECS: 214-634-2
• SMILES: [C@]13([C@H](C(=CCC1)\C=C/C2=C(CC[C@H](O)C2)C)CC[C@@H]3[C@@H](CCCC(C)C)C)C
• InChI: 1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12-/t21-,24+,25-,26+,27-/m1/s1
• InChIKey: YUGCAAVRZWBXEQ-WHTXLNIXSA-N

Properties

• Density: 1.017g/cm³ (Cal.)
• Boiling point: 495.991°C at 760 mmHg (Cal.)
• Flash point: 214.115°C (Cal.)