(4aS,4bS,10bS,12aS)-8-methoxy-2,2,12a-trimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-chrysen-1-one
[CAS# 108789-49-7]

Identification

• Name: (4aS,4bS,10bS,12aS)-8-methoxy-2,2,12a-trimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-chrysen-1-one
• Synonyms: 16,16-Dimethyl-D-Homo-8-Isoestrone Methyl Ester; D-Homoestra-1,3,5(10)-Trien-17A-One, 3-Methoxy-17,17-Dimethyl-, (8Alpha)-(+-)-; Dmhiem
• Molecular Formula: C₂₂H₃₀O₂
• Molecular Weight: 326.48
• CAS Registry Number: 108789-49-7
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@@H]2[C@H]4[C@](CC3)(C(C(CC4)(C)C)=O)C)OC
• InChI: 1S/C22H30O2/c1-21(2)11-10-19-18-7-5-14-13-15(24-4)6-8-16(14)17(18)9-12-22(19,3)20(21)23/h6,8,13,17-19H,5,7,9-12H2,1-4H3/t17-,18+,19+,22+/m1/s1
• InChIKey: BRSVRATYZSQLNA-GHDARCQNSA-N

Properties

• Density: 1.04g/cm³ (Cal.)
• Boiling point: 449.363°C at 760 mmHg (Cal.)
• Flash point: 179.441°C (Cal.)