Allopregnane-3,20-Diol
[CAS# 4479-11-2]

Identification

• Name: Allopregnane-3,20-Diol
• Synonyms: (3Alpha,5Alpha,20S)-Pregnane-3,20-Diol; 3Beta,20Alpha-Dihydroxy-5Alpha-Pregnane; 5Alpha-Pregnane-3Alpha,20Alpha-Diol
• Molecular Formula: C₂₁H₃₆O₂
• Molecular Weight: 320.51
• CAS Registry Number: 4479-11-2
• SMILES: [C@@H]4(C(C)O)[C@@]3([C@H]([C@@H]2CCC1CC(CC[C@@]1([C@H]2CC3)C)O)CC4)C
• 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-QARKZGPCSA-N

Properties

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