Sodium 17β-dihydroequilin sulfate
CAS Registry Number®
16680-49-2
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CAS Name
Sodium 17β-dihydroequilin sulfateMolecular Formula
C18H22O5S.NaCite this Page
Sodium 17β-dihydroequilin sulfate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=16680-49-2 (retrieved ) (CAS RN: 16680-49-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C18H22O5S.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;/h3-5,10,14,16-17,19H,2,6-9H2,1H3,(H,20,21,22);/t14-,16+,17+,18+;/m1./s1
InChIKey
InChIKey=SFYNEMQDUODPIF-UHFFLUDVSA-N
SMILES
C[C@@]12[C@](C=3[C@@](C=4C(CC3)=CC(OS(=O)(=O)O)=CC4)(CC1)[H])(CC[C@@H]2O)[H].[Na]
Canonical SMILES
[Na].O=S(=O)(O)OC1=CC=C2C(=C1)CC=C3C2CCC4(C)C(O)CCC34
Other Names for this Substance
- Estra-1,3,5(10),7-tetraene-3,17-diol, 3-(hydrogen sulfate), sodium salt (1:1)
- Estra-1,3,5(10),7-tetraene-3,17β-diol, 3-(hydrogen sulfate), monosodium salt
- Estra-1,3,5(10),7-tetraene-3,17-diol, 3-(hydrogen sulfate), monosodium salt, (17β)-
- Sodium 17β-dihydroequilin sulfate
- 17β-Dihydroequilin sodium sulfate
