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CHEBI:198927 - Ergosta-7,22-dien-2beta,3alpha,9alpha-triol

ChEBI IDCHEBI:198927
ChEBI NameErgosta-7,22-dien-2beta,3alpha,9alpha-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
SMILESCC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@H]2C3=CCC4C[C@H](O)[C@@H](O)C[C@]4(C)[C@@]3(O)CC[C@]12C
InChIInChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)21-11-12-22-23-10-9-20-15-24(29)25(30)16-27(20,6)28(23,31)14-13-26(21,22)5/h7-8,10,17-22,24-25,29-31H,9,11-16H2,1-6H3/t18-,19+,20?,21+,22-,24-,25-,26+,27-,28+/m0/s1
InChIKeyRVWGLBNUTMYAOL-INIGJSOASA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (17655889)
ChEBI Ontology
Outgoing Relation(s)
Ergosta-7,22-dien-2beta,3alpha,9alpha-triol (CHEBI:198927) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2S,3S,9S,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,9-triol
Manual XrefsDatabases
78440756ChemSpider