3-[(E)-2-[(1R,3aR,4R,7aR)-4-Hydroxy-1-[(2R)-6-Hydroxy-6-Methylheptan-2-Yl]-7a-Methyl-2,3,3a,5,6,7-Hexahydro-1H-Inden-4-Yl]Ethenyl]-4-Methylidenecyclohex-2-En-1-One
[CAS# 109947-25-3]

Identification

• Name: 3-[(E)-2-[(1R,3aR,4R,7aR)-4-Hydroxy-1-[(2R)-6-Hydroxy-6-Methylheptan-2-Yl]-7a-Methyl-2,3,3a,5,6,7-Hexahydro-1H-Inden-4-Yl]Ethenyl]-4-Methylidenecyclohex-2-En-1-One
• Synonyms: 3-[(E)-2-[(1R,3Ar,4R,7Ar)-4-Hydroxy-1-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Yl]Vinyl]-4-Methylene-Cyclohex-2-En-1-One; 3-[(E)-2-[(1R,3Ar,4R,7Ar)-4-Hydroxy-1-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Yl]Vinyl]-4-Methylene-1-Cyclohex-2-Enone; 3-[(E)-2-[(1R,3Ar,4R,7Ar)-4-Hydroxy-1-[(2R)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Yl]Ethenyl]-4-Methylidene-Cyclohex-2-En-1-One
• Molecular Formula: C₂₇H₄₂O₃
• Molecular Weight: 414.63
• CAS Registry Number: 109947-25-3
• SMILES: [C@@]3(/C=C/C1=CC(CCC1=C)=O)([C@@H]2CC[C@H]([C@@H](CCCC(C)(C)O)C)[C@@]2(C)CCC3)O
• InChI: 1S/C27H42O3/c1-19-9-10-22(28)18-21(19)13-17-27(30)16-7-15-26(5)23(11-12-24(26)27)20(2)8-6-14-25(3,4)29/h13,17-18,20,23-24,29-30H,1,6-12,14-16H2,2-5H3/b17-13+/t20-,23-,24-,26-,27-/m1/s1
• InChIKey: CIYNDEHOHLAUJG-XXEMARPHSA-N

Properties

• Density: 1.061g/cm³ (Cal.)
• Boiling point: 552.449°C at 760 mmHg (Cal.)
• Flash point: 301.971°C (Cal.)