5-beta-Pregnane-3-alpha,11-alpha,20-beta-Triol
[CAS# 55647-22-8]

Identification

• Name: 5-beta-Pregnane-3-alpha,11-alpha,20-beta-Triol
• Synonyms: 5-Beta-Pregnane-3-Alpha,11-Alpha,20-Beta-Triol
• Molecular Formula: C₂₁H₃₆O₃
• Molecular Weight: 336.51
• CAS Registry Number: 55647-22-8
• EINECS: 259-737-3
• SMILES: [C@H]4(O)[C@@H]2[C@@]1([C@@H](C[C@@H](CC1)O)CC[C@H]2[C@H]3[C@@]([C@H](CC3)[C@H](O)C)(C4)C)C
• InChI: 1S/C21H36O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h12-19,22-24H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17+,18-,19-,20+,21-/m1/s1
• InChIKey: CZHLKVQGWWCQEG-KFOKCSIRSA-N

Properties

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