(5alpha,11beta)-11,21-Dihydroxy-Pregnane-3,20-Dione
[CAS# 298-25-9]

Identification

• Name: (5alpha,11beta)-11,21-Dihydroxy-Pregnane-3,20-Dione
• Synonyms: (5S,8S,9S,10S,11S,13S,14S,17S)-11-Hydroxy-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,8S,9S,10S,11S,13S,14S,17S)-17-Glycoloyl-11-Hydroxy-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One; (5S,8S,9S,10S,11S,13S,14S,17S)-11-Hydroxy-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: C₂₁H₃₂O₄
• Molecular Weight: 348.48
• CAS Registry Number: 298-25-9
• SMILES: [C@@]34(C)[C@@H]1[C@H]([C@H]2[C@@](C[C@@H]1O)(C)[C@H](CC2)C(CO)=O)CC[C@H]3CC(CC4)=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/h12,14-17,19,22,24H,3-11H2,1-2H3/t12-,14-,15-,16+,17-,19+,20-,21-/m0/s1
• InChIKey: CTTOFMJLOGMZRN-DYWNTJRHSA-N

Properties

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