(3alpha,5alpha,20R)-Pregnane-3,20-Diol
[CAS# 566-57-4]

Identification

• Name: (3alpha,5alpha,20R)-Pregnane-3,20-Diol
• Synonyms: 5-α-PREGNAN-3-α,20-β-DIOL; 5α-Pregnane-3α,20α-diol
• Molecular Formula: C₂₁H₃₆O₂
• Molecular Weight: 320.51
• CAS Registry Number: 566-57-4
• SMILES: C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)O
• 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-HZCKZVNYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 435.9±18.0°C at 760 mmHg (Cal.)
• Flash point: 191.0±15.8°C (Cal.)