(3.beta.,5.alpha.)-3,17,21-Trihydroxy-Pregnan-20-One
[CAS# 516-47-2]

Identification

• Name: (3.beta.,5.alpha.)-3,17,21-Trihydroxy-Pregnan-20-One
• Synonyms: 1-[(17R)-3,17-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Hydroxy-Ethanone; 3Beta,17Alpha,21-Trihydroxy-5Alpha-Pregnan-20-One; 5-Alpha-Pregnan-20-One, 3-Beta,17,21-Trihydroxy- (8Ci)
• Molecular Formula: C₂₁H₃₄O₄
• Molecular Weight: 350.50
• CAS Registry Number: 516-47-2
• SMILES: [C@@]4(O)(C3(C(C1C(C2(C(CC1)CC(O)CC2)C)CC3)CC4)C)C(=O)CO
• InChI: 1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13?,14?,15?,16?,17?,19?,20?,21-/m0/s1
• InChIKey: UPTAPIKFKZGAGM-ZSFNZJKLSA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Boiling point: 505.146°C at 760 mmHg (Cal.)
• Flash point: 273.394°C (Cal.)