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CHEBI:135643 - ethinylestradiol sulfonate
Main
ChEBI Ontology
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ChEBI Name
ethinylestradiol sulfonate
ChEBI ID
CHEBI:135643
Stars
This entity has been manually annotated by a third party.
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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
View more database links
Registry Number
Type
Source
28913-23-7
CAS Registry Number
DrugCentral
Last Modified
23 February 2017