(16S,17R)-3-Methoxy-13,16-Dimethyl-7,8,9,11,12,14,15,17-Octahydro-6H-Cyclopenta[a]Phenanthrene-16,17-Diol
[CAS# 5108-94-1]

Identification

• Name: (16S,17R)-3-Methoxy-13,16-Dimethyl-7,8,9,11,12,14,15,17-Octahydro-6H-Cyclopenta[a]Phenanthrene-16,17-Diol
• Synonyms: 3-Methoxy-16-Methylestra-1,3,5(10)-Triene-16Beta,17Beta-Diol; Chebi:34859; 17-Alpha-Methylestriol 3-Methyl Ether
• Molecular Formula: C₂₀H₂₈O₃
• Molecular Weight: 316.44
• CAS Registry Number: 5108-94-1
• SMILES: [C@]34([C@H]([C@H]2[C@@H](C1=C(C=C(OC)C=C1)CC2)CC3)C[C@]([C@@H]4O)(C)O)C
• InChI: 1S/C20H28O3/c1-19-9-8-15-14-7-5-13(23-3)10-12(14)4-6-16(15)17(19)11-20(2,22)18(19)21/h5,7,10,15-18,21-22H,4,6,8-9,11H2,1-3H3/t15-,16-,17+,18-,19+,20+/m1/s1
• InChIKey: OOVXZFCPCSVSEM-NADOGSGZSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 451.332°C at 760 mmHg (Cal.)
• Flash point: 226.758°C (Cal.)