(3b,5a,16a,20S)-Pregnane-3,16,20-triol
[CAS# 2220-64-6]

Identification

• Name: (3b,5a,16a,20S)-Pregnane-3,16,20-triol
• Synonyms: Nsc72823
• Molecular Formula: C₂₁H₃₆O₃
• Molecular Weight: 336.51
• CAS Registry Number: 2220-64-6
• SMILES: [C@]24([C@H]([C@@H]1CC[C@@H]3[C@@]([C@H]1CC2)(CC[C@H](O)C3)C)C[C@H]([C@@H]4[C@@H](O)C)O)C
• InChI: 1S/C21H36O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h12-19,22-24H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18+,19-,20-,21-/m0/s1
• InChIKey: PYSDRYREDSFAKC-DTRVYOHYSA-N

Properties

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