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CHEBI:203083 - (22E,24R)-3-acetoxy-19(10-->6)-abeo-ergosta-5,7,9,22-tetraen-3beta-OL

ChEBI IDCHEBI:203083
ChEBI Name(22E,24R)-3-acetoxy-19(10-->6)-abeo-ergosta-5,7,9,22-tetraen-3beta-OL
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O2
Net Charge0
Average Mass436.680
Monoisotopic Mass436.33413
SMILESCC(=O)O[C@H]1CCc2c(c(C)cc3c2CC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]32)C1
InChIInChI=1S/C30H44O2/c1-18(2)19(3)8-9-20(4)28-12-13-29-27-16-21(5)26-17-23(32-22(6)31)10-11-24(26)25(27)14-15-30(28,29)7/h8-9,16,18-20,23,28-29H,10-15,17H2,1-7H3/b9-8+/t19-,20+,23-,28+,29-,30+/m0/s1
InChIKeyCDIFLIYDTJYBDO-JZDBMQJNSA-N
Species of MetaboliteComponentSourceComments
Colletotrichumspecies (ncbitaxon:34409) - PubMed (19967971)
ChEBI Ontology
Outgoing Relation(s)
(22E,24R)-3-acetoxy-19(10-->6)-abeo-ergosta-5,7,9,22-tetraen-3beta-OL (CHEBI:203083) is a cholestanoid (CHEBI:50401)
IUPAC Name 
[(3S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Manual XrefsDatabases
27023899ChemSpider