5a-Pregnan-21-ol-3,20-dione
[CAS# 298-36-2]

Identification

• Name: 5a-Pregnan-21-ol-3,20-dione
• Synonyms: (5S,8R,9S,10S,13S,14S,17S)-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One; (5S,8R,9S,10S,13S,14S,17S)-17-Glycoloyl-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One; (5S,8R,9S,10S,13S,14S,17S)-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 298-36-2
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](CC1)[C@]3(C)[C@@H](CC2)CC(CC3)=O)CC[C@@H]4C(CO)=O
• InChI: 1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15-,16-,17-,18+,20-,21-/m0/s1
• InChIKey: USPYDUPOCUYHQL-KVHKMPIWSA-N

Properties

• Density: 1.111g/cm³ (Cal.)
• Boiling point: 468.645°C at 760 mmHg (Cal.)
• Flash point: 251.343°C (Cal.)