(8R,9S,13S,14S,17S)-13-Methyl-17-[(2R)-Oxiran-2-Yl]-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Diol
[CAS# 102651-47-8]

Identification

• Name: (8R,9S,13S,14S,17S)-13-Methyl-17-[(2R)-Oxiran-2-Yl]-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Diol
• Synonyms: (8R,9S,13S,14S,17S)-13-Methyl-17-[(2R)-2-Oxiranyl]-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Diol; 19-Norpregna-1,3,5(10)-Triene-3,17-Diol, 20,21-Epoxy-, (17Alpha,20R)-; 20,21-Epoxy-19-Norpregna-1,3,5(10)-Triene-3,17-Diol (17Alpha,20R)-
• Molecular Formula: C₂₀H₂₆O₃
• Molecular Weight: 314.42
• CAS Registry Number: 102651-47-8
• SMILES: [C@@H]1(CO1)[C@]3([C@]2(CC[C@H]4[C@H]([C@@H]2CC3)CCC5=CC(=CC=C45)O)C)O
• InChI: 1S/C20H26O3/c1-19-8-6-15-14-5-3-13(21)10-12(14)2-4-16(15)17(19)7-9-20(19,22)18-11-23-18/h3,5,10,15-18,21-22H,2,4,6-9,11H2,1H3/t15-,16-,17+,18-,19+,20-/m1/s1
• InChIKey: DVZRZZJKBCUJGQ-BOQPXBONSA-N

Properties

• Density: 1.263g/cm³ (Cal.)
• Boiling point: 504.356°C at 760 mmHg (Cal.)
• Flash point: 258.826°C (Cal.)