(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-17-Sulfooxy-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthrene
[CAS# 651-45-6]

Identification

• Name: (8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-17-Sulfooxy-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthrene
• Synonyms: [(8R,9S,10R,13S,14S,17S)-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Hydrogen Sulfate; 17Beta-(Sulfooxy)Androst-4-En-3-One; Androst-4-En-3-One, 17-(Sulfooxy)-, (17Beta)-
• Molecular Formula: C₁₉H₂₈O₅S
• Molecular Weight: 368.49
• CAS Registry Number: 651-45-6
• SMILES: [C@H]24[C@H]1[C@@]([C@@H](O[S](=O)(=O)O)CC1)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)CC4)C)C
• InChI: 1S/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15-,16-,17-,18-,19-/m0/s1
• InChIKey: WAQBISPOEAOCOG-DYKIIFRCSA-N

Properties

• Density: 1.306g/cm³ (Cal.)