CHEBI:174827 - 19-Oic-deoxycorticosterone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 19-Oic-deoxycorticosterone
ChEBI ID CHEBI:174827
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H28O5
Net Charge 0
Average Mass 360.450
Monoisotopic Mass 360.19367
InChI InChI=1S/C21H28O5/c1-20-8-7-16-14(15(20)4-5-17(20)18(24)11-22)3-2-12-10-13(23)6-9-21(12,16)19(25)26/h10,14-17,22H,2-9,11H2,1H3,(H,25,26)/t14-,15-,16-,17+,20-,21+/m0/s1
InChIKey RUPOMAOZPOVHQZ-XYNCURNNSA-N
SMILES OC(=O)[C@@]12[C@@]3([C@]([C@]4([C@@]([C@H](CC4)C(=O)CO)(CC3)C)[H])(CCC1=CC(=O)CC2)[H])[H]
ChEBI Ontology
Outgoing 19-Oic-deoxycorticosterone (CHEBI:174827) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name
(8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxylic acid
Manual Xref Database
117890 ChemSpider
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Registry Number Type Source
81309-33-3 CAS Registry Number ChemIDplus