(1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6S)-6,7-Dihydroxy-6-Methylheptan-2-Yl]-7a-Methyl-2,3,3a,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidenecyclohexane-1,3-Diol
[CAS# 77372-59-9]

Identification

• Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6S)-6,7-Dihydroxy-6-Methylheptan-2-Yl]-7a-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-[(1R,3As,7Ar)-1-[(1R,5S)-5,6-Dihydroxy-1,5-Dimethyl-Hexyl]-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-[(1R,3As,7Ar)-1-[(1R,5S)-5,6-Dihydroxy-1,5-Dimethylhexyl]-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-[(1R,3As,7Ar)-1-[(2R,6S)-6,7-Dihydroxy-6-Methyl-Heptan-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₇H₄₄O₄
• Molecular Weight: 432.64
• CAS Registry Number: 77372-59-9
• 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](CCC[C@](O)(CO)C)C)C
• InChI: 1S/C27H44O4/c1-18(7-5-13-26(3,31)17-28)23-11-12-24-20(8-6-14-27(23,24)4)9-10-21-15-22(29)16-25(30)19(21)2/h9-10,18,22-25,28-31H,2,5-8,11-17H2,1,3-4H3/b20-9+,21-10-/t18-,22+,23-,24+,25-,26+,27-/m1/s1
• InChIKey: LUMQIGNPUDCMLN-VIPYKEJDSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 612.224°C at 760 mmHg (Cal.)
• Flash point: 260.723°C (Cal.)