5-B-Pregnane-3-alpha-21-Diol-11-20-Dione
[CAS# 566-03-0]

Identification

• Name: 5-B-Pregnane-3-alpha-21-Diol-11-20-Dione
• Synonyms: (3R)-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; (3R)-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; (3R)-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: 566-03-0
• EINECS: 209-295-2
• SMILES: [C@H]4(O)CC3C(C2C(C1C(C(CC1)C(=O)CO)(CC2=O)C)CC3)(CC4)C
• 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/t12?,13-,14?,15?,16?,19?,20?,21?/m1/s1
• InChIKey: XWYBFXIUISNTQG-LWBRKPSMSA-N

Properties

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