(3beta,5alpha)-Pregnane-3,17,20,21-Tetrol
[CAS# 566-41-6]

Identification

• Name: (3beta,5alpha)-Pregnane-3,17,20,21-Tetrol
• Molecular Formula: C₂₁H₃₆O₄
• Molecular Weight: 352.51
• CAS Registry Number: 566-41-6
• SMILES: OCC(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/C21H36O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-18,22-25H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,18?,19-,20-,21-/m0/s1
• InChIKey: MQSSTQLJJOVNQF-YJIIALKKSA-N

Properties

• Density: 1.186g/cm³ (Cal.)
• Boiling point: 524.317°C at 760 mmHg (Cal.)
• Flash point: 235.68°C (Cal.)