5-alpha-Pregnane-3-beta,20-alpha-diol
[CAS# 566-56-3]

Identification

• Name: 5-alpha-Pregnane-3-beta,20-alpha-diol
• Synonyms: Allopregnane-3Beta-20Alpha-Diol; Zinc04081538
• Molecular Formula: C₂₁H₃₆O₂
• Molecular Weight: 320.51
• CAS Registry Number: 566-56-3
• EINECS: 209-296-8
• SMILES: [C@@]34(C)[C@@H]1[C@H]([C@H]2[C@@](CC1)(C)[C@H](CC2)[C@H](C)O)CC[C@H]3C[C@H](CC4)O
• InChI: 1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
• InChIKey: YWYQTGBBEZQBGO-ZVPCKFNKSA-N

Properties

• Density: 1.054g/cm³ (Cal.)
• Boiling point: 435.91°C at 760 mmHg (Cal.)
• Flash point: 191.009°C (Cal.)