(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
[CAS# 105687-81-8]

Identification

• Name: (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
• Synonyms: (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
• Molecular Formula: C₂₈H₄₆O₃
• Molecular Weight: 430.67
• CAS Registry Number: 105687-81-8
• 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
• 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
• InChIKey: QRBVGIIEIQPZJM-NCHYQVLXSA-N

Properties

• Density: 1.055g/cm³ (Cal.)
• Boiling point: 575.634°C at 760 mmHg (Cal.)
• Flash point: 240.469°C (Cal.)