Pregn-5-Ene-3,20-Dione
[CAS# 1236-09-5]

Identification

• Name: Pregn-5-Ene-3,20-Dione
• Synonyms: (8S,9S,10R,13S,14S,17S)-17-Ethanoyl-10,13-Dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; 5-Pregnene-3,20-Dione; 4-07-00-02401 (Beilstein Handbook Reference)
• Molecular Formula: C₂₁H₃₀O₂
• Molecular Weight: 314.47
• CAS Registry Number: 1236-09-5
• SMILES: [C@@H]23CC=C1CC(CC[C@@]1([C@H]2CC[C@]4([C@H]3CC[C@@H]4C(C)=O)C)C)=O
• InChI: 1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,16-19H,5-12H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
• InChIKey: MNRHZPCIEGLWGK-LEKSSAKUSA-N

Properties

• Density: 1.088g/cm³ (Cal.)
• Boiling point: 440.139°C at 760 mmHg (Cal.)
• Flash point: 164.213°C (Cal.)