(2S,4aS,10aS)-5,8-Dihydroxy-6-Methoxy-2,4alpha-Dimethyl-1-Methylidene-7-Prop-1-En-2-Yl-3,4,10,10alpha-Tetrahydro-2H-Phenanthren-9-One
[CAS# 142182-52-3]

Identification

• Name: (2S,4aS,10aS)-5,8-Dihydroxy-6-Methoxy-2,4alpha-Dimethyl-1-Methylidene-7-Prop-1-En-2-Yl-3,4,10,10alpha-Tetrahydro-2H-Phenanthren-9-One
• Synonyms: (2S,4As,10As)-5,8-Dihydroxy-7-Isopropenyl-6-Methoxy-2,4A-Dimethyl-1-Methylene-3,4,10,10A-Tetrahydro-2H-Phenanthren-9-One; 19(4-3)Abeo-11,14-Dihydroxy-12-Methoxy-Abieta-8,11,13,15-Tetraen-7-One; 9(1H)-Phenanthrenone, 2,3,4,4A,10,10A-Hexahydro-5,8-Dihydroxy-6-Methoxy-2,4A-Dimethyl-1-Methylene-7-(1-Methylethenyl)-, (2S-(2Alpha,4Aalpha,10Abeta))-
• Molecular Formula: C₂₁H₂₆O₄
• Molecular Weight: 342.43
• CAS Registry Number: 142182-52-3
• SMILES: [C@]12([C@H](C([C@H](CC1)C)=C)CC(=O)C3=C(O)C(=C(OC)C(=C23)O)C(=C)C)C
• InChI: 1S/C21H26O4/c1-10(2)15-18(23)16-14(22)9-13-12(4)11(3)7-8-21(13,5)17(16)19(24)20(15)25-6/h11,13,23-24H,1,4,7-9H2,2-3,5-6H3/t11-,13-,21-/m0/s1
• InChIKey: YAYJIXJFUFMWFD-KDKPCJNHSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 537.837°C at 760 mmHg (Cal.)
• Flash point: 188.65°C (Cal.)