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CHEBI:227880 - (22E, 24R)-9alpha,15alpha-dihydroxyergosta-4,6,8(14),22-tetraen-3-one

ChEBI IDCHEBI:227880
ChEBI Name(22E, 24R)-9alpha,15alpha-dihydroxyergosta-4,6,8(14),22-tetraen-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O3
Net Charge0
Average Mass426.641
Monoisotopic Mass426.31340
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@H](O)C2=C3C=CC4=C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C
InChIInChI=1S/C28H42O3/c1-17(2)18(3)7-8-19(4)23-16-24(30)25-22-10-9-20-15-21(29)11-12-27(20,6)28(22,31)14-13-26(23,25)5/h7-10,15,17-19,21,23-24,29-31H,11-14,16H2,1-6H3/b8-7+/t18-,19+,21-,23+,24-,26+,27-,28+/m0/s1
InChIKeyFVDWRVJVWXPRSP-KRAOARPUSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (31494344)
ChEBI Ontology
Outgoing Relation(s)
(22E, 24R)-9alpha,15alpha-dihydroxyergosta-4,6,8(14),22-tetraen-3-one (CHEBI:227880) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,9S,10S,13R,15S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,11,12,15,16,17-octahydrocyclopenta[a]phenanthrene-3,9,15-triol