(3beta,5alpha,20S)-Pregnane-3,17,20-Triol
[CAS# 570-50-3]

Identification

• Name: (3beta,5alpha,20S)-Pregnane-3,17,20-Triol
• Synonyms: 5-α-PREGNAN-3-β,17,20-α-TRIOL
• Molecular Formula: C₂₁H₃₆O₃
• Molecular Weight: 336.51
• CAS Registry Number: 570-50-3
• SMILES: C[C@H](O)[C@@]3(O)CC[C@H]2[C@@H]4CC[C@H]1C[C@@H](O)CC[C@]1(C)[C@H]4CC[C@@]23C
• InChI: 1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-/m0/s1
• InChIKey: SCPADBBISMMJAW-LEKZYSGJSA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 469.9°C at 760 mmHg (Cal.)
• Flash point: 208.194°C (Cal.)