(3aS,4S,7R,7aR)-7-Hydroxy-4-[2-(5-Hydroxy-2-Methylphenyl)Ethyl]-7a-Methyl-2,3,3a,4,6,7-Hexahydroindene-1,5-Dione
[CAS# 79683-94-6]

Identification

• Name: (3aS,4S,7R,7aR)-7-Hydroxy-4-[2-(5-Hydroxy-2-Methylphenyl)Ethyl]-7a-Methyl-2,3,3a,4,6,7-Hexahydroindene-1,5-Dione
• Synonyms: (3As,4S,7R,7Ar)-7-Hydroxy-4-[2-(5-Hydroxy-2-Methyl-Phenyl)Ethyl]-7A-Methyl-2,3,3A,4,6,7-Hexahydroindene-1,5-Dione; (3As,4S,7R,7Ar)-7-Hydroxy-4-[2-(5-Hydroxy-2-Methyl-Phenyl)Ethyl]-7A-Methyl-2,3,3A,4,6,7-Hexahydroindene-1,5-Quinone; 3,12-Dsatd
• Molecular Formula: C₁₉H₂₄O₄
• Molecular Weight: 316.40
• CAS Registry Number: 79683-94-6
• SMILES: [C@@H]12CCC([C@]1([C@@H](CC([C@H]2CCC3=CC(=CC=C3C)O)=O)O)C)=O
• InChI: 1S/C19H24O4/c1-11-3-5-13(20)9-12(11)4-6-14-15-7-8-17(22)19(15,2)18(23)10-16(14)21/h3,5,9,14-15,18,20,23H,4,6-8,10H2,1-2H3/t14-,15-,18+,19-/m0/s1
• InChIKey: SCRZLRQVKYXYFZ-SAKMYQHLSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 526.519°C at 760 mmHg (Cal.)
• Flash point: 286.306°C (Cal.)