4-Hydroxyestradiol 17-sulfate
[CAS# 90746-92-2]

Identification

• Name: 4-Hydroxyestradiol 17-sulfate
• Synonyms: 4-Hydroxyestradiol 17-Sulfate; 4-Oh-E2-17-S; Estra-1,3,5(10)-Triene-3,4,17-Triol, 17-(Hydrogen Sulfate), (17Bta)-
• Molecular Formula: C₁₈H₂₄O₆S
• Molecular Weight: 368.44
• CAS Registry Number: 90746-92-2
• SMILES: [C@H]34[C@H]2[C@@H](C1=CC=C(O)C(=C1CC2)O)CC[C@@]3([C@@H](O[S](=O)(=O)O)CC4)C
• InChI: 1S/C18H24O6S/c1-18-9-8-11-10-4-6-15(19)17(20)13(10)3-2-12(11)14(18)5-7-16(18)24-25(21,22)23/h4,6,11-12,14,16,19-20H,2-3,5,7-9H2,1H3,(H,21,22,23)/t11-,12-,14+,16+,18+/m1/s1
• InChIKey: OFRQUXUVUJJDSU-ZHIYBZGJSA-N

Properties

• Density: 1.477g/cm³ (Cal.)