(17alpha)-Estra-1,3,5,7,9-Pentaene-3,17-Diol 3-(Hydrogen Sulfate) Monosodium Salt
[CAS# 56086-66-9]

Identification

• Name: (17alpha)-Estra-1,3,5,7,9-Pentaene-3,17-Diol 3-(Hydrogen Sulfate) Monosodium Salt
• Synonyms: Sodium (13S,17R)-13-Methyl-3-Sulfoxy-11,12,14,15,16,17-Hexahydrocyclopenta[A]Phenanthren-17-Olate; Estra-1,3,5,7,9-Pentaene-3,17-Diol, 3-(Hydrogen Sulfate), Monosodium Salt, (17Alpha)-
• Molecular Formula: C₁₈H₁₉NaO₅S
• Molecular Weight: 370.39
• CAS Registry Number: 56086-66-9
• EINECS: 259-985-2
• SMILES: [C@]24(C(C1=CC=C3C(=C1CC2)C=CC(=C3)O[S](=O)(=O)O)CC[C@H]4[O-])C.[Na+]
• InChI: 1S/C18H19O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h2-5,10,16-17H,6-9H2,1H3,(H,20,21,22);/q-1;+1/t16?,17-,18+;/m1./s1
• InChIKey: SASZMNLGAPMOAV-SIDHBHHCSA-N