CHEBI:135643 - ethinylestradiol sulfonate

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ChEBI Name ethinylestradiol sulfonate
ChEBI ID CHEBI:135643
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H30O4S
Net Charge 0
Average Mass 402.549
Monoisotopic Mass 402.18648
InChI InChI=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
InChIKey KPEUDULLQDHKAZ-VROINQGHSA-N
SMILES C[C@@]12[C@]([C@]3([C@](CC1)(C4=C(CC3)C=C(C=C4)OS(C(C)C)(=O)=O)[H])[H])(CC[C@@]2(O)C#C)[H]
ChEBI Ontology
Outgoing ethinylestradiol sulfonate (CHEBI:135643) has parent hydride estrane (CHEBI:23966)
ethinylestradiol sulfonate (CHEBI:135643) is a steroid (CHEBI:35341)
Synonyms Sources
2-Propanesulfonic acid, 17-hydroxy-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yn-3-yl ester DrugCentral
ethinyl estradiol sulfonate DrugCentral
turisteron DrugCentral
Manual Xref Database
3943 DrugCentral
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Registry Number Type Source
28913-23-7 CAS Registry Number DrugCentral
Last Modified
23 February 2017