Pregnane-3,20-Diol
[CAS# 26856-62-2]

Identification

• Name: Pregnane-3,20-Diol
• Synonyms: 3A,20-PREGNANEDIOL (5CI); 3α,20α-Dihydroxy-5α-pregnane; 3α,20α-Dihydroxy-5β-pregnane
• Molecular Formula: C₂₁H₃₆O₂
• Molecular Weight: 320.51
• CAS Registry Number: 26856-62-2
• SMILES: CC(C1CCC2C1(CCC3C2CCC4C3(CCC(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
• InChIKey: YWYQTGBBEZQBGO-UHFFFAOYSA-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.)
• Refractive index: 1.531 (Cal.)