17-Hydroxy-3-Oxopregn-4-En-20-Yl Hydrogen Sulfate
[CAS# 138949-80-1]

Identification

• Name: 17-Hydroxy-3-Oxopregn-4-En-20-Yl Hydrogen Sulfate
• Synonyms: 4-PREGNEN-17Α,20Î’-DIOL-3-ONE-20-SULFATE
• Molecular Formula: C₂₁H₃₂O₆S
• Molecular Weight: 412.54
• CAS Registry Number: 138949-80-1
• SMILES: O=S(=O)(O)OC(C)C2(O)CCC1C4C(CCC12C)C3(/C(=C\C(=O)CC3)CC4)C
• InChI: 1S/C21H32O6S/c1-13(27-28(24,25)26)21(23)11-8-18-16-5-4-14-12-15(22)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,23H,4-11H2,1-3H3,(H,24,25,26)
• InChIKey: ICFRLXUMZOYPOT-UHFFFAOYSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Refractive index: 1.584 (Cal.)