(1R,4aR,10aS)-5-Hydroxy-1-(Hydroxymethyl)-8-Methoxy-1,4a-Dimethyl-7-Propan-2-Yl-4,9,10,10a-Tetrahydro-3H-Phenanthren-2-One
[CAS# 110187-23-0]

Identification

• Name: (1R,4aR,10aS)-5-Hydroxy-1-(Hydroxymethyl)-8-Methoxy-1,4a-Dimethyl-7-Propan-2-Yl-4,9,10,10a-Tetrahydro-3H-Phenanthren-2-One
• Synonyms: (1R,4Ar,10As)-5-Hydroxy-1-(Hydroxymethyl)-7-Isopropyl-8-Methoxy-1,4A-Dimethyl-4,9,10,10A-Tetrahydro-3H-Phenanthren-2-One; (1R,4Ar,10As)-5-Hydroxy-7-Isopropyl-8-Methoxy-1,4A-Dimethyl-1-Methylol-4,9,10,10A-Tetrahydro-3H-Phenanthren-2-One; 2(1H)-Phenanthrenone, 3,4,4A,9,10,10A-Hexahydro-5-Hydroxy-1-(Hydroxymethyl)-8-Methoxy-1,4A-Dimethyl-7-(1-Methylethyl)-, (1R-(1Alpha,4Aalpha,10Abeta))-
• Molecular Formula: C₂₁H₃₀O₄
• Molecular Weight: 346.47
• CAS Registry Number: 110187-23-0
• SMILES: [C@]2(C(CC[C@]3(C1=C(C(=C(C=C1O)C(C)C)OC)CC[C@H]23)C)=O)(C)CO
• InChI: 1S/C21H30O4/c1-12(2)14-10-15(23)18-13(19(14)25-5)6-7-16-20(18,3)9-8-17(24)21(16,4)11-22/h10,12,16,22-23H,6-9,11H2,1-5H3/t16-,20+,21-/m0/s1
• InChIKey: XGRBHDJWRPUKMD-DQLDELGASA-N

Properties

• Density: 1.121g/cm³ (Cal.)
• Boiling point: 529.553°C at 760 mmHg (Cal.)
• Flash point: 183.368°C (Cal.)