4-Pregnen-6-beta-Ol-3,20-Dione
[CAS# 604-19-3]

Identification

• Name: 4-Pregnen-6-beta-Ol-3,20-Dione
• Synonyms: (6R,8S,9S,10R,13S,14S,17S)-17-Ethanoyl-6-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; 4-08-00-02182 (Beilstein Handbook Reference); 6-Beta-Hydroxypregn-4-Ene-3,20-Dione
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.47
• CAS Registry Number: 604-19-3
• SMILES: [C@@H]2(C1=CC(CC[C@@]1([C@@H]4[C@@H](C2)[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)CC4)C)=O)O
• InChI: 1S/C21H30O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19,24H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19+,20+,21+/m0/s1
• InChIKey: PWCLWZOSAFOXFL-CXICGXRGSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 490.79°C at 760 mmHg (Cal.)
• Flash point: 264.721°C (Cal.)