(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(8-Hydroxy-8-Methylnonan-2-Yl)-7alpha-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidenecyclohexane-1,3-Diol
[CAS# 114694-09-6]

Identification

• Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(8-Hydroxy-8-Methylnonan-2-Yl)-7alpha-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidenecyclohexane-1,3-Diol
• Synonyms: (1R,3S,5E)-5-[(2E)-2-[(1R,3As,7Ar)-1-(7-Hydroxy-1,7-Dimethyl-Octyl)-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1R,3S,5E)-5-[(2E)-2-[(1R,3As,7Ar)-1-(7-Hydroxy-1,7-Dimethyloctyl)-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1R,3S,5E)-5-[(2E)-2-[(1R,3As,7Ar)-1-(8-Hydroxy-8-Methyl-Nonan-2-Yl)-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₉H₄₈O₃
• Molecular Weight: 444.70
• CAS Registry Number: 114694-09-6
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C/2C([C@@H](O)C[C@H](O)C2)=C)CC[C@@H]3C(CCCCCC(O)(C)C)C)C
• InChI: 1S/C29H48O3/c1-20(10-7-6-8-16-28(3,4)32)25-14-15-26-22(11-9-17-29(25,26)5)12-13-23-18-24(30)19-27(31)21(23)2/h12-13,20,24-27,30-32H,2,6-11,14-19H2,1,3-5H3/b22-12+,23-13+/t20?,24-,25-,26+,27+,29-/m1/s1
• InChIKey: NXSMZYQLQNEMOK-UHVQAMBTSA-N

Properties

• Density: 1.048g/cm³ (Cal.)
• Boiling point: 586.175°C at 760 mmHg (Cal.)
• Flash point: 242.433°C (Cal.)