[(8R,9S,13S,14S,17S)-13-Methyl-3-Sulfooxy-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl] Hydrogen Sulfate
[CAS# 3233-70-3]

Identification

• Name: [(8R,9S,13S,14S,17S)-13-Methyl-3-Sulfooxy-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl] Hydrogen Sulfate
• Synonyms: [(8R,9S,13S,14S,17S)-13-Methyl-3-Sulfoxy-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Hydrogen Sulfate; 17Beta-Estradiol-3,17-Disulfate; Estra-1,3,5(10)-Triene-3,17-Diol (17Beta)-, Bis(Hydrogen Sulfate)
• Molecular Formula: C₁₈H₂₄O₈S₂
• Molecular Weight: 432.50
• CAS Registry Number: 3233-70-3
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](CC3)([C@H](CC4)O[S](=O)(O)=O)C)O[S](=O)(O)=O
• InChI: 1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/t14-,15-,16+,17+,18+/m1/s1
• InChIKey: VPLAJGAMHNQZIY-ZBRFXRBCSA-N

Properties

• Density: 1.557g/cm³ (Cal.)