CHEBI:175682 - 18-Hydroxy-11-dehydrotetrahydrocorticosterone

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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 18-Hydroxy-11-dehydrotetrahydrocorticosterone
ChEBI ID CHEBI:175682
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H32O5
Net Charge 0
Average Mass 364.482
Monoisotopic Mass 364.22497
InChI InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h12-16,19,22-24H,2-11H2,1H3/t12-,13-,14+,15+,16-,19-,20+,21-/m1/s1
InChIKey UQRPWWKJWZFNAE-GMPOBFAFSA-N
SMILES O=C1[C@]2([C@]([C@]3([C@@]([C@H](CC3)C(=O)CO)(C1)CO)[H])(CC[C@]4([C@@]2(CC[C@@H](O)C4)C)[H])[H])[H]
ChEBI Ontology
Outgoing 18-Hydroxy-11-dehydrotetrahydrocorticosterone (CHEBI:175682) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name
(3R,5R,8S,9S,10S,13R,14S,17S)-3-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Manual Xref Database
167855 ChemSpider
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Registry Number Type Source
7050-24-0 CAS Registry Number ChemIDplus