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CHEBI:201246 - 2a-oxa-2oxo-5a-hydroxy-3,4-dinor-24-ethylcholesta-24(28)-ene

ChEBI IDCHEBI:201246
ChEBI Name2a-oxa-2oxo-5a-hydroxy-3,4-dinor-24-ethylcholesta-24(28)-ene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILESC/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)OC(=O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InChIInChI=1S/C27H44O3/c1-7-19(17(2)3)9-8-18(4)21-10-11-22-20-12-15-27(29)26(6,16-24(28)30-27)23(20)13-14-25(21,22)5/h7,17-18,20-23,29H,8-16H2,1-6H3/b19-7+/t18-,20+,21-,22+,23+,25-,26-,27-/m1/s1
InChIKeyLJBNXGCIASRMAO-RHZHZYLJSA-N
Species of MetaboliteComponentSourceComments
Pyricularia oryzae (ncbitaxon:318829) - PubMed (12067165)
ChEBI Ontology
Outgoing Relation(s)
2a-oxa-2oxo-5a-hydroxy-3,4-dinor-24-ethylcholesta-24(28)-ene (CHEBI:201246) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3aR,3bS,5aR,6R,8aS,8bS,10aR)-10a-hydroxy-3a,5a-dimethyl-6-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e][1]benzouran-2-one
Manual XrefsDatabases
9255383ChemSpider