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CHEBI:212218 - Ergosta-7,22-dien-3beta-yl palmitate

ChEBI IDCHEBI:212218
ChEBI NameErgosta-7,22-dien-3beta-yl palmitate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H76O2
Net Charge0
Average Mass637.090
Monoisotopic Mass636.58453
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(CC=C3C2CC[C@@]2(C)C3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1
InChIInChI=1S/C44H76O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(45)46-37-28-30-43(6)36(32-37)24-25-38-40-27-26-39(44(40,7)31-29-41(38)43)35(5)23-22-34(4)33(2)3/h22-23,25,33-37,39-41H,8-21,24,26-32H2,1-7H3/b23-22+/t34-,35+,36?,37-,39+,40?,41?,43-,44+/m0/s1
InChIKeyFNQWAQSWCDRWDH-KIPQSSDWSA-N
Species of MetaboliteComponentSourceComments
Ganoderma amboinense (ncbitaxon:2952274) - DOI (10.1016/0031-9422(93)85177-s)
ChEBI Ontology
Outgoing Relation(s)
Ergosta-7,22-dien-3beta-yl palmitate (CHEBI:212218) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(3S,10S,13R,17R)-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]phenanthren-3-yl] hexadecanoate
Manual XrefsDatabases
78445633ChemSpider