Estriol 3-Sulfate
[CAS# 481-95-8]

Identification

• Name: Estriol 3-Sulfate
• Synonyms: 16Alpha-Hydroxyestradiol 3-Sulfate; Estra-1,3,5(10)-Triene-3,16,17-Triol, 3-(Hydrogen Sulfate), (16Alpha,17Beta)-; Estriol 3-Sulfate
• Molecular Formula: C₁₈H₂₄O₆S
• Molecular Weight: 368.44
• CAS Registry Number: 481-95-8
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](CC3)([C@H]([C@@H](C4)O)O)C)O[S](=O)(O)=O
• InChI: 1S/C18H24O6S/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/h3,5,8,13-17,19-20H,2,4,6-7,9H2,1H3,(H,21,22,23)/t13-,14-,15+,16-,17+,18+/m1/s1
• InChIKey: ZORQMBLUMWNJEQ-ZXXIGWHRSA-N

Properties

• Density: 1.432g/cm³ (Cal.)