Ergost-7-en-3-one (CHEBI:202490)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:202490 - Ergost-7-en-3-one

Take structure to advanced search

ChEBI ID	CHEBI:202490
ChEBI Name	Ergost-7-en-3-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H46O
Net Charge	0
Average Mass	398.675
Monoisotopic Mass	398.35487
SMILES	CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI	InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-21,24-26H,7-9,11-17H2,1-6H3/t19-,20+,21-,24+,25-,26-,27-,28+/m0/s1
InChIKey	FFLCKIGPXUHXHP-BPJRAAEVSA-N

Species of Metabolite	Component	Source	Comments
Gloeophyllum odoratum (ncbitaxon:139427)	-	DOI (10.1016/s0031-9422(00)00165-5)

ChEBI Ontology

Outgoing Relation(s)
	Ergost-7-en-3-one (CHEBI:202490) is a ergostanoid (CHEBI:50403)

IUPAC Name
(5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Manual Xrefs	Databases
78442549	ChemSpider