16-Oxoestradiol 3-Sulfate
[CAS# 17916-85-7]

Identification

• Name: 16-Oxoestradiol 3-Sulfate
• Synonyms: [(8R,9S,13S,14S,17R)-17-Hydroxy-16-Keto-13-Methyl-7,8,9,11,12,14,15,17-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl] Hydrogen Sulfate; 16-Oxoestradiol 3-Sulfate; Estra-1,3,5(10)-Trien-16-One, 17-Hydroxy-3-(Sulfooxy)-, (17Beta)-
• Molecular Formula: C₁₈H₂₂O₆S
• Molecular Weight: 366.43
• CAS Registry Number: 17916-85-7
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](CC3)([C@H](C(C4)=O)O)C)O[S](O)(=O)=O
• InChI: 1S/C18H22O6S/c1-18-7-6-13-12-5-3-11(24-25(21,22)23)8-10(12)2-4-14(13)15(18)9-16(19)17(18)20/h3,5,8,13-15,17,20H,2,4,6-7,9H2,1H3,(H,21,22,23)/t13-,14-,15+,17+,18+/m1/s1
• InChIKey: QJFFNUBKYWXXCO-YONAWACDSA-N

Properties

• Density: 1.427g/cm³ (Cal.)