(8S,9S,10R,13S,14S,17R)-17-(1-Hydroxy-2-propanyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
[CAS# 71658-22-5]

Identification

• Name: (8S,9S,10R,13S,14S,17R)-17-(1-Hydroxy-2-propanyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
• Synonyms: 21-hydroxy-20-methylpregna-1,4-dien-3-one
• Molecular Formula: C₂₂H₃₂O₂
• Molecular Weight: 328.49
• CAS Registry Number: 71658-22-5
• EINECS: 275-773-2
• SMILES: CC(CO)[C@H]3CC[C@H]2[C@@H]4CC\C1=C\C(=O)\C=C/[C@]1(C)[C@H]4CC[C@@]23C
• InChI: 1S/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h8,10,12,14,17-20,23H,4-7,9,11,13H2,1-3H3/t14?,17-,18+,19-,20-,21-,22+/m0/s1
• InChIKey: FRCNDHZJYALSFS-ZRFCQXGJSA-N

Properties

• Density: 1.097g/cm³ (Cal.)
• Boiling point: 465.967°C at 760 mmHg (Cal.)
• Flash point: 198.225°C (Cal.)