11,17,21-Trihydroxypregna-1,4-diene-3,20-dione (CHEBI:181020)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	11,17,21-Trihydroxypregna-1,4-diene-3,20-dione

ChEBI ID	CHEBI:181020

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H28O5

Net Charge

Average Mass

360.450

Monoisotopic Mass

360.19367

InChI

InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3

InChIKey

OIGNJSKKLXVSLS-UHFFFAOYSA-N

SMILES

OC1(C2(C(C3C(C(O)C2)C4(C(CC3)=CC(=O)C=C4)C)CC1)C)C(=O)CO

ChEBI Ontology
Outgoing	11,17,21-Trihydroxypregna-1,4-diene-3,20-dione (CHEBI:181020) is a 21-hydroxy steroid (CHEBI:35344)

IUPAC Name

11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one