[(8R,9S,13S,14S,17S)-2,3-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl] Hydrogen Sulfate
[CAS# 75005-50-4]

Identification

• Name: [(8R,9S,13S,14S,17S)-2,3-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl] Hydrogen Sulfate
• Synonyms: 2-Hydroxyestradiol 17-Sulfate; 2-Oh-E2-17-S; Estra-1,3,5(10)-Triene-2,3,17-Triol, 17-(Hydrogen Sulfate), (17Beta)-
• Molecular Formula: C₁₈H₂₄O₆S
• Molecular Weight: 368.44
• CAS Registry Number: 75005-50-4
• 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/c1-18-7-6-11-12(14(18)4-5-17(18)24-25(21,22)23)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-20H,2-7H2,1H3,(H,21,22,23)/t11-,12+,14-,17-,18-/m0/s1
• InChIKey: LKEXGMTXKRKYSA-XSSYPUMDSA-N

Properties

• Density: 1.477g/cm³ (Cal.)