3-Hydroxypregnan-3-One 3-Sulfate
[CAS# 7730-00-9]

Identification

• Name: 3-Hydroxypregnan-3-One 3-Sulfate
• Synonyms: [(3S,5S,8R,9S,10S,13S,14S,17S)-17-Ethanoyl-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Hydrogen Sulfate; 3-Hydroxypregnan-3-One 3-Sulfate; 3Alpha-Hydroxy-5Alpha-Pregnan-20-One Sulfate
• Molecular Formula: C₂₁H₃₄O₅S
• Molecular Weight: 398.56
• CAS Registry Number: 7730-00-9
• SMILES: [C@]24([C@H]([C@@H]1CC[C@@H]3[C@@]([C@H]1CC2)(CC[C@H](O[S](=O)(=O)O)C3)C)CC[C@@H]4C(=O)C)C
• InChI: 1S/C21H34O5S/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/h14-19H,4-12H2,1-3H3,(H,23,24,25)/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
• InChIKey: MENQCIVHHONJLU-FZCSVUEKSA-N

Properties

• Density: 1.235g/cm³ (Cal.)