(3beta)-17-Hydroxy-3-(Sulfooxy)-Pregn-5-En-20-One
[CAS# 2477-77-2]

Identification

• Name: (3beta)-17-Hydroxy-3-(Sulfooxy)-Pregn-5-En-20-One
• Synonyms: [(3S,8R,9S,10R,13S,14S,17R)-17-Ethanoyl-17-Hydroxy-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Hydrogen Sulfate; 17-Hydroxypregnenolone 3-Sulfate; 17Oh-Psulf
• Molecular Formula: C₂₁H₃₂O₆S
• Molecular Weight: 412.54
• CAS Registry Number: 2477-77-2
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O[S](=O)(=O)O)CC2)C)CC[C@@]3([C@](O)(CC4)C(=O)C)C
• InChI: 1S/C21H32O6S/c1-13(22)21(23)11-8-18-16-5-4-14-12-15(27-28(24,25)26)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23H,5-12H2,1-3H3,(H,24,25,26)/t15-,16+,17-,18-,19-,20-,21-/m0/s1
• InChIKey: OMOKWYAQVYBHMG-TVWVXWENSA-N

Properties

• Density: 1.321g/cm³ (Cal.)