[(8R,9S,13S,14S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl] Hydrogen Sulfate
[CAS# 3233-69-0]

Identification

• Name: [(8R,9S,13S,14S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl] Hydrogen Sulfate
• Synonyms: Estradiol 17-Sulfate; Estradiol-17-Sulfate; Estra-1,3,5(10)-Triene-3,17-Diol (17Beta)-, 17-(Hydrogen Sulfate)
• Molecular Formula: C₁₈H₂₄O₅S
• Molecular Weight: 352.44
• CAS Registry Number: 3233-69-0
• SMILES: [C@H]34[C@H]2[C@@H](C1=CC=C(O)C=C1CC2)CC[C@@]3([C@@H](O[S](=O)(=O)O)CC4)C
• InChI: 1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1
• InChIKey: JSUDNGPWAXYETN-ZBRFXRBCSA-N

Properties

• Density: 1.395g/cm³ (Cal.)