(1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7alpha-Methyl-1-[(E,2R)-5,5,6-Trimethylhept-3-En-2-Yl]-2,3,3a,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidenecyclohexane-1,3-Diol
[CAS# 104211-64-5]

Identification

• Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7alpha-Methyl-1-[(E,2R)-5,5,6-Trimethylhept-3-En-2-Yl]-2,3,3a,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidenecyclohexane-1,3-Diol
• Synonyms: (1S,3R,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-7A-Methyl-1-[(E,1R)-1,4,4,5-Tetramethylhex-2-Enyl]-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1S,3R,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-7A-Methyl-1-[(E,1R)-1,4,4,5-Tetramethylhex-2-Enyl]-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1S,3R,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-7A-Methyl-1-[(E,2R)-5,5,6-Trimethylhept-3-En-2-Yl]-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₉H₄₆O₂
• Molecular Weight: 426.68
• CAS Registry Number: 104211-64-5
• 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](\C=C\C(C(C)C)(C)C)C)C
• InChI: 1S/C29H46O2/c1-19(2)28(5,6)16-14-20(3)25-12-13-26-22(9-8-15-29(25,26)7)10-11-23-17-24(30)18-27(31)21(23)4/h10-11,14,16,19-20,24-27,30-31H,4,8-9,12-13,15,17-18H2,1-3,5-7H3/b16-14+,22-10+,23-11-/t20-,24+,25-,26+,27-,29-/m1/s1
• InChIKey: NIKMORRDAXLLOU-YXJZIJINSA-N

Properties

• Density: 1.014g/cm³ (Cal.)
• Boiling point: 546.133°C at 760 mmHg (Cal.)
• Flash point: 224.492°C (Cal.)