2-Hydroxy-4-Pregnene-3,20-Dione
[CAS# 604-28-4]

Identification

• Name: 2-Hydroxy-4-Pregnene-3,20-Dione
• Synonyms: (8S,9S,10R,13S,14S,17S)-17-Ethanoyl-2-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; 2-Hydroxy-4-Pregnene-3,20-Dione; 2Alpha-Hydroxy-4-Pregnene-3,20-Dione
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.47
• CAS Registry Number: 604-28-4
• SMILES: [C@@H]23CCC1=CC(C(C[C@@]1([C@H]2CC[C@]4([C@H]3CC[C@@H]4C(C)=O)C)C)O)=O
• InChI: 1S/C21H30O3/c1-12(22)15-6-7-16-14-5-4-13-10-18(23)19(24)11-21(13,3)17(14)8-9-20(15,16)2/h10,14-17,19,24H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19?,20+,21-/m0/s1
• InChIKey: BOZZHCVRWNSXMR-JFXKSSBPSA-N

Properties

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