(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,8aS)-1-[(2R)-6-Hydroxy-6-Methylheptan-2-Yl]-8a-Methyl-1,2,3,3a,4,6,7,8-Octahydroazulen-5-Ylidene]Ethylidene]-4-Methylidenecyclohexane-1,3-Diol
[CAS# 145459-22-9]

Identification

• Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,8aS)-1-[(2R)-6-Hydroxy-6-Methylheptan-2-Yl]-8a-Methyl-1,2,3,3a,4,6,7,8-Octahydroazulen-5-Ylidene]Ethylidene]-4-Methylidenecyclohexane-1,3-Diol
• Synonyms: (1R,3S,5Z)-5-[(2E)-2-[(1R,3As,8As)-1-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-8A-Methyl-1,2,3,3A,4,6,7,8-Octahydroazulen-5-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1R,3S,5Z)-5-[(2E)-2-[(1R,3As,8As)-1-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-8A-Methyl-1,2,3,3A,4,6,7,8-Octahydroazulen-5-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1R,3S,5Z)-5-[(2E)-2-[(1R,3As,8As)-1-[(2R)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-8A-Methyl-1,2,3,3A,4,6,7,8-Octahydroazulen-5-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₈H₄₆O₃
• Molecular Weight: 430.67
• CAS Registry Number: 145459-22-9
• SMILES: [C@]12([C@H](CC[C@H]1C\C(CCC2)=C\C=C\3C([C@@H](O)C[C@H](O)C3)=C)[C@@H](CCCC(O)(C)C)C)C
• InChI: 1S/C28H46O3/c1-19(8-6-14-27(3,4)31)25-13-12-23-16-21(9-7-15-28(23,25)5)10-11-22-17-24(29)18-26(30)20(22)2/h10-11,19,23-26,29-31H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11-/t19-,23+,24-,25-,26+,28+/m1/s1
• InChIKey: WGTOPFVLLJBMFZ-QXTVKLKRSA-N

Properties

• Density: 1.055g/cm³ (Cal.)
• Boiling point: 577.029°C at 760 mmHg (Cal.)
• Flash point: 241.173°C (Cal.)