(4aS,10aS)-7-(2-Hydroxypropan-2-Yl)-1,1,4a-Trimethyl-3,4,10,10a-Tetrahydro-2H-Phenanthren-9-One
[CAS# 105037-83-0]

Identification

• Name: (4aS,10aS)-7-(2-Hydroxypropan-2-Yl)-1,1,4a-Trimethyl-3,4,10,10a-Tetrahydro-2H-Phenanthren-9-One
• Synonyms: (4As,10As)-7-(1-Hydroxy-1-Methyl-Ethyl)-1,1,4A-Trimethyl-3,4,10,10A-Tetrahydro-2H-Phenanthren-9-One; (4As,10As)-7-(1-Hydroxy-1-Methylethyl)-1,1,4A-Trimethyl-3,4,10,10A-Tetrahydro-2H-Phenanthren-9-One; 15-Hydroxy-7-Oxo-Abieta-8,11,13-Triene
• Molecular Formula: C₂₀H₂₈O₂
• Molecular Weight: 300.44
• CAS Registry Number: 105037-83-0
• SMILES: [C@@]12(CCCC([C@@H]1CC(C3=C2C=CC(=C3)C(C)(C)O)=O)(C)C)C
• InChI: 1S/C20H28O2/c1-18(2)9-6-10-20(5)15-8-7-13(19(3,4)22)11-14(15)16(21)12-17(18)20/h7-8,11,17,22H,6,9-10,12H2,1-5H3/t17-,20+/m0/s1
• InChIKey: OVZJPSRACVBRNG-FXAWDEMLSA-N

Properties

• Density: 1.052g/cm³ (Cal.)
• Boiling point: 435.394°C at 760 mmHg (Cal.)
• Flash point: 185.68°C (Cal.)