5beta-Pregna-3,11,20-Trione
[CAS# 1474-68-6]

Identification

• Name: 5beta-Pregna-3,11,20-Trione
• Synonyms: (5R,8S,9S,10S,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Quinone; (5R,8S,9S,10S,13S,14S,17S)-17-Ethanoyl-10,13-Dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Dione; 5-Beta-Pregnane-3,11,20-Trione
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.47
• CAS Registry Number: 1474-68-6
• SMILES: [C@@]12(CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@@]4([C@@H](C(=O)C)CC[C@@H]34)C)C
• 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/h13,15-17,19H,4-11H2,1-3H3/t13-,15+,16-,17+,19-,20+,21-/m1/s1
• InChIKey: AHRWWYGWQKBKBF-PCHYHQBZSA-N

Properties

• Density: 1.108g/cm³ (Cal.)
• Boiling point: 466.499°C at 760 mmHg (Cal.)
• Flash point: 199.16°C (Cal.)