EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218561 - Ergost-7,22-dien-3beta,4alpha-diol

ChEBI IDCHEBI:218561
ChEBI NameErgost-7,22-dien-3beta,4alpha-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O2
Net Charge0
Average Mass414.674
Monoisotopic Mass414.34978
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)C1CCC2C3=CCC4[C@H](O)[C@@H](O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)21-11-12-22-20-9-10-24-26(30)25(29)14-16-28(24,6)23(20)13-15-27(21,22)5/h7-9,17-19,21-26,29-30H,10-16H2,1-6H3/b8-7+/t18-,19+,21?,22?,23?,24?,25-,26-,27+,28+/m0/s1
InChIKeyAUHVNMOANKGXPA-GLXULCFXSA-N
Species of MetaboliteComponentSourceComments
Ganoderma resinaceum (ncbitaxon:34465) - PubMed (28366021)
ChEBI Ontology
Outgoing Relation(s)
Ergost-7,22-dien-3beta,4alpha-diol (CHEBI:218561) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,4S,10R,13R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
Manual XrefsDatabases
78445374ChemSpider