Pregnane-3,17-Diol-11,20-Dione
[CAS# 56193-64-7]

Identification

• Name: Pregnane-3,17-Diol-11,20-Dione
• Synonyms: (8S,9S,10S,13S,14S,17R)-17-Ethanoyl-3,17-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-11-One; (3Alpha,5Beta)-3,17-Dihydroxypregnane-11,20-Dione; 5Beta-Pregnane-3Alpha,17Alpha-Diol-11,20-Dione
• Molecular Formula: C₂₁H₃₂O₄
• Molecular Weight: 348.48
• CAS Registry Number: 56193-64-7
• SMILES: [C@@H]23CCC1CC(CC[C@@]1([C@H]2C(C[C@]4([C@H]3CC[C@@]4(C(C)=O)O)C)=O)C)O
• InChI: 1S/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13?,14?,15-,16-,18+,19-,20-,21-/m0/s1
• InChIKey: AYEXSTRNLGYBSQ-WKIOYHTKSA-N

Properties

• Density: 1.184g/cm³ (Cal.)
• Boiling point: 503.37°C at 760 mmHg (Cal.)
• Flash point: 272.321°C (Cal.)