10,13-Dimethyl-17-Oxo-3-Sulfooxy-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthrene
[CAS# 651-48-9]

Identification

• Name: 10,13-Dimethyl-17-Oxo-3-Sulfooxy-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthrene
• Synonyms: [(3S,8R,9S,10R,13S,14S)-17-Keto-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Hydrogen Sulfate; 3Beta-Hydroxy-5-Androsten-17-One 3-Sulfate; 3Beta-Hydroxy-5-Androsten-17-One Monosulfate
• Molecular Formula: C₁₉H₂₈O₅S
• Molecular Weight: 368.49
• CAS Registry Number: 651-48-9
• SMILES: [C@@H]23[C@H]([C@H]1[C@](C(=O)CC1)(C)CC2)CC=C4[C@@]3(CC[C@@H](C4)O[S](O)(=O)=O)C
• InChI: 1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1
• InChIKey: CZWCKYRVOZZJNM-USOAJAOKSA-N

Properties

• Density: 1.306g/cm³ (Cal.)