Allopregnane-3beta,21-Diol-11,20-Dione
[CAS# 566-02-9]

Identification

• Name: Allopregnane-3beta,21-Diol-11,20-Dione
• Synonyms: 3-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-11-One; 17-Glycoloyl-3-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-11-One; 3-Hydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-11-One
• Molecular Formula: C₂₁H₃₂O₄
• Molecular Weight: 348.48
• CAS Registry Number: 566-02-9
• SMILES: C(C(C3CCC4C2CCC1CC(CCC1(C)C2C(CC34C)=O)O)=O)O
• InChI: 1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3
• InChIKey: XWYBFXIUISNTQG-UHFFFAOYSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 508.459°C at 760 mmHg (Cal.)
• Flash point: 275.396°C (Cal.)