3-beta,11-beta,21-Trihydroxy-5-alpha-Pregnan-20-One
[CAS# 516-16-5]

Identification

• Name: 3-beta,11-beta,21-Trihydroxy-5-alpha-Pregnan-20-One
• Synonyms: 1-(3,11-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl)-2-Hydroxy-Ethanone; Nsc112288; Allopregnane-3 Beta,11 Beta,21-Triol-20-One
• Molecular Formula: C₂₁H₃₄O₄
• Molecular Weight: 350.50
• CAS Registry Number: 516-16-5
• SMILES: C(C(C4C3(C(C2C(C1(C(CC(O)CC1)CC2)C)C(C3)O)CC4)C)=O)O
• InChI: 1S/C21H34O4/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/h12-17,19,22-24H,3-11H2,1-2H3
• InChIKey: RHQQHZQUAMFINJ-UHFFFAOYSA-N

Properties

• Density: 1.181g/cm³ (Cal.)
• Boiling point: 509.576°C at 760 mmHg (Cal.)
• Flash point: 276.07°C (Cal.)