(3alpha,5beta)-3,17-Dihydroxy-Pregnane-11,20-Dione
[CAS# 641-78-1]

Identification

• Name: (3alpha,5beta)-3,17-Dihydroxy-Pregnane-11,20-Dione
• Synonyms: (3R,5R,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; Nsc23156; 3Alpha,17-Dihydroxy-5Beta-Pregnane-11,20-Dione
• Molecular Formula: C₂₁H₃₂O₄
• Molecular Weight: 348.48
• CAS Registry Number: 641-78-1
• EINECS: 211-376-2
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](C(C1)=O)[C@]3(C)[C@H](CC2)C[C@@H](CC3)O)CC[C@@]4(C(C)=O)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+/m1/s1
• InChIKey: AYEXSTRNLGYBSQ-YOBHSKELSA-N

Properties

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