(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(7-Ethyl-7-Hydroxynonan-2-Yl)-7alpha-Methyl-2,3,3a,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidenecyclohexane-1,3-Diol
[CAS# 128312-71-0]

Identification

• Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(7-Ethyl-7-Hydroxynonan-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-(6-Ethyl-6-Hydroxy-1-Methyl-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-(6-Ethyl-6-Hydroxy-1-Methyloctyl)-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-(7-Ethyl-7-Hydroxy-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: C₃₀H₅₀O₃
• Molecular Weight: 458.72
• CAS Registry Number: 128312-71-0
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C/2C([C@@H](O)C[C@H](O)C2)=C)CC[C@@H]3C(CCCCC(O)(CC)CC)C)C
• InChI: 1S/C30H50O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h13-14,21,25-28,31-33H,4,6-12,15-20H2,1-3,5H3/b23-13+,24-14+/t21?,25-,26-,27+,28+,29-/m1/s1
• InChIKey: DFOWDEBIOXYKFC-DVFBGEEJSA-N

Properties

• Density: 1.042g/cm³ (Cal.)
• Boiling point: 596.629°C at 760 mmHg (Cal.)
• Flash point: 244.32°C (Cal.)