estrone sulphate
Molecular Formula:
C18H22O5S
InChI: InChI=1/C18H22O5S/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/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1/f/h20H
InChIKey: InChIKey=JKKFKPJIXZFSSB-WVUOJNEIDN
SMILES: [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc4cc(OS(O)(=O)=O)ccc24
CAS number 481-97-0
Names:
estrone hydrogen sulfate
estrone sulfate
estrone sulphate
Estrone 3-sulfate
estrone 3-sulfate
Estrone 3-sulfate
estrone 3-sulfate
Prestwick0_000688
(8S,9S,13S,14S)-13-methyl-17-oxo-3-sulfooxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
3-hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate
Registries:
PubChem CID 3001028
Beilstein =2399598
CAS 481-97-0 (from NIST)
ChEBI 17474
Kegg C02538
PubChem ID 11466716
PubChem ID 5545
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