(24R)-Ergost-4-ene-3,6-dione (CHEBI:191954)

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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	(24R)-Ergost-4-ene-3,6-dione

ChEBI ID	CHEBI:191954

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C28H44O2

Net Charge

Average Mass

412.658

Monoisotopic Mass

412.33413

InChI

InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h15,17-19,21-24H,7-14,16H2,1-6H3

InChIKey

HYALICAWDSDCPS-UHFFFAOYSA-N

SMILES

O=C1CC2C3C(C(CC3)C(CCC(C(C)C)C)C)(CCC2C4(C1=CC(=O)CC4)C)C

Metabolite of Species	Details
Populus trichocarpa (NCBI:txid3694)	Found in root (BTO:0001188). See: MetaboLights Study

ChEBI Ontology
Outgoing	(24R)-Ergost-4-ene-3,6-dione (CHEBI:191954) is a ergostanoid (CHEBI:50403)

IUPAC Name

17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione