Pregnane-3,20-Diol 3-Sulfate
[CAS# 65423-37-2]

Identification

• Name: Pregnane-3,20-Diol 3-Sulfate
• Synonyms: 5Alpha-Pregnane-3Beta,20Alpha-Diol 3-Sulphate; P-3,20-Ds; Pregnane-3,20-Diol 3-Sulfate
• Molecular Formula: C₂₁H₃₆O₅S
• Molecular Weight: 400.57
• CAS Registry Number: 65423-37-2
• SMILES: [C@@H]4([C@H](C)O)[C@@]3([C@H]([C@@H]2CC[C@H]1C[C@H](CC[C@@]1([C@H]2CC3)C)O[S](=O)(=O)O)CC4)C
• InChI: 1S/C21H36O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22H,4-12H2,1-3H3,(H,23,24,25)/t13-,14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
• InChIKey: ZIVKBPVUJZDVBI-ZVPCKFNKSA-N

Properties

• Density: 1.237g/cm³ (Cal.)