(1S,3S)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-Hydroxy-6-Methylheptan-2-Yl]-7a-Methyl-2,3,3a,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]Cyclohexane-1,3-Diol
[CAS# 130447-37-9]

Identification

• Name: (1S,3S)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-Hydroxy-6-Methylheptan-2-Yl]-7a-Methyl-2,3,3a,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]Cyclohexane-1,3-Diol
• Synonyms: (1S,3S)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]Cyclohexane-1,3-Diol; (1S,3S)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]Cyclohexane-1,3-Diol; (1S,3S)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(2R)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]Cyclohexane-1,3-Diol
• Molecular Formula: C₂₆H₄₄O₃
• Molecular Weight: 404.63
• CAS Registry Number: 130447-37-9
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C2\C[C@H](O)C[C@@H](O)C2)CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C
• InChI: 1S/C26H44O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,5-8,11-17H2,1-4H3/b20-10+/t18-,21+,22+,23-,24+,26-/m1/s1
• InChIKey: PKFBWEUIKKCWEW-DKFINHAQSA-N

Properties

• Density: 1.121g/cm³ (Cal.)
• Boiling point: 551.995°C at 760 mmHg (Cal.)
• Flash point: 234.109°C (Cal.)