5 beta-Pregnane-3 alpha,6 alpha,20 alpha-Triol
[CAS# 4420-37-5]

Identification

• Name: 5 beta-Pregnane-3 alpha,6 alpha,20 alpha-Triol
• Synonyms: 5Beta-Pregnane-3Alpha,6Alpha,20Alpha-Triol; Pregnane-3,6,20-Triol, (3Alpha,5Beta,6Alpha,20S)-
• Molecular Formula: C₂₁H₃₆O₃
• Molecular Weight: 336.51
• CAS Registry Number: 4420-37-5
• SMILES: [C@]34([C@@H]2[C@H]([C@H]1[C@@]([C@H](CC1)C(O)C)(CC2)C)C[C@@H]([C@@H]3C[C@@H](CC4)O)O)C
• InChI: 1S/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3/t12?,13-,14+,15-,16+,17+,18+,19+,20-,21-/m1/s1
• InChIKey: SWHHMTKXNOSPLE-YFSSZICNSA-N

Properties

• Density: 1.117g/cm³ (Cal.)
• Boiling point: 474.106°C at 760 mmHg (Cal.)
• Flash point: 210.463°C (Cal.)