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CHEBI:135643 - ethinylestradiol sulfonate

ChEBI IDCHEBI:135643
ChEBI Nameethinylestradiol sulfonate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC23H30O4S
Net Charge0
Average Mass402.556
Monoisotopic Mass402.18648
SMILES[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])c3ccc(OS(=O)(=O)C(C)C)cc3CC[C@@]21[H]
InChIInChI=1S/C23H30O4S/c1-5-23(24)13-11-21-20-8-6-16-14-17(27-28(25,26)15(2)3)7-9-18(16)19(20)10-12-22(21,23)4/h1,7,9,14-15,19-21,24H,6,8,10-13H2,2-4H3/t19-,20-,21+,22+,23+/m1/s1
InChIKeyKPEUDULLQDHKAZ-VROINQGHSA-N
ChEBI Ontology
Outgoing Relation(s)
ethinylestradiol sulfonate (CHEBI:135643) has parent hydride estrane (CHEBI:23966)
ethinylestradiol sulfonate (CHEBI:135643) is a steroid (CHEBI:35341)
Synonyms  Source
turisteronDrugCentral
2-Propanesulfonic acid, 17-hydroxy-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yn-3-yl esterDrugCentral
ethinyl estradiol sulfonateDrugCentral
Manual XrefsDatabases
3943DrugCentral
Registry NumbersSources
CAS:28913-23-7DrugCentral