(8S,9S,10R,13S,14S,17S)-17-Acetyl-11-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
[CAS# 312-90-3]

Identification

• Name: (8S,9S,10R,13S,14S,17S)-17-Acetyl-11-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (8S,9S,10R,13S,14S,17S)-17-Ethanoyl-11-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; 11Beta-Hydroxy-4-Pregnen-3,20-Dione; Pregn-4-Ene-11Beta-Ol-3,20-Dione
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.47
• CAS Registry Number: 312-90-3
• SMILES: [C@@H]23CCC1=CC(CC[C@@]1([C@H]2C(C[C@]4([C@H]3CC[C@@H]4C(C)=O)C)O)C)=O
• InChI: 1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18?,19+,20-,21+/m0/s1
• InChIKey: BFZHCUBIASXHPK-AYHYENMDSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 487.423°C at 760 mmHg (Cal.)
• Flash point: 262.687°C (Cal.)