(3beta,5alpha,11beta)-Pregnane-3,11,17,20,21-Pentol
[CAS# 516-39-2]

Identification

• Name: (3beta,5alpha,11beta)-Pregnane-3,11,17,20,21-Pentol
• Molecular Formula: C₂₁H₃₆O₅
• Molecular Weight: 368.51
• CAS Registry Number: 516-39-2
• 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]4[C@@H](O)C[C@@]23C
• InChI: 1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17?,18+,19-,20-,21-/m0/s1
• InChIKey: FFPUNPBUZDTHJI-MEAWVKDGSA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Boiling point: 564.528°C at 760 mmHg (Cal.)
• Flash point: 254.999°C (Cal.)