5-beta-Pregnan-3-alpha, 20-beta-Diol
[CAS# 80-91-1]

Identification

• Name: 5-beta-Pregnan-3-alpha, 20-beta-Diol
• Synonyms: 5-Beta-Pregnane, 3-Alpha,20-Beta-Dihydroxy-; 5-Beta-Pregnane-3-Alpha,20-Beta-Diol; Brn 2332395
• Molecular Formula: C₂₁H₃₆O₂
• Molecular Weight: 320.51
• CAS Registry Number: 80-91-1
• EINECS: 201-312-1
• SMILES: [C@]24([C@H]([C@@H]1CC[C@H]3[C@@]([C@H]1CC2)(CC[C@@H](O)C3)C)CC[C@@H]4[C@H](O)C)C
• InChI: 1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16+,17-,18+,19+,20+,21-/m1/s1
• InChIKey: YWYQTGBBEZQBGO-OQOYYRQQSA-N

Properties

• Density: 1.054g/cm³ (Cal.)
• Boiling point: 435.91°C at 760 mmHg (Cal.)
• Flash point: 191.009°C (Cal.)