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CHEBI:181925 - delta8(14)-Ergostenol

ChEBI IDCHEBI:181925
ChEBI Namedelta8(14)-Ergostenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O
Net Charge0
Average Mass400.691
Monoisotopic Mass400.37052
SMILES[H][C@@]12CCC3=C4CC[C@]([H])([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-22,24,26,29H,7-17H2,1-6H3/t19-,20+,21-,22-,24+,26-,27-,28+/m0/s1
InChIKeyAWYDNKRGSOPYQB-ZHYOCZQLSA-N
ChEBI Ontology
Outgoing Relation(s)
delta8(14)-Ergostenol (CHEBI:181925) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5S,9R,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
LMST01030113LIPID MAPS
C19652KEGG COMPOUND
4446750ChemSpider
Registry NumbersSources
CAS:632-32-6ChemIDplus