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CHEBI:218555 - 7beta,8-epoxy-3beta-hydroxy-4,4,14alpha-trimethyl-12,15,20-trioxo-5alpha-pregn-9(11)-ene

ChEBI IDCHEBI:218555
ChEBI Name7beta,8-epoxy-3beta-hydroxy-4,4,14alpha-trimethyl-12,15,20-trioxo-5alpha-pregn-9(11)-ene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O5
Net Charge0
Average Mass400.515
Monoisotopic Mass400.22497
SMILESCC(=O)[C@H]1CC(=O)[C@@]2(C)C34O[C@H]3CC3C(C)(C)[C@@H](O)CC[C@]3(C)C4=CC(=O)[C@]12C
InChIInChI=1S/C24H32O5/c1-12(25)13-9-18(28)23(6)22(13,5)17(27)10-15-21(4)8-7-16(26)20(2,3)14(21)11-19-24(15,23)29-19/h10,13-14,16,19,26H,7-9,11H2,1-6H3/t13-,14?,16+,19+,21+,22+,23-,24?/m1/s1
InChIKeyMIRXTBPIFWAALT-CFEZUOAUSA-N
Species of MetaboliteComponentSourceComments
Ganoderma resinaceum (ncbitaxon:34465) - PubMed (28366021)
ChEBI Ontology
Outgoing Relation(s)
7beta,8-epoxy-3beta-hydroxy-4,4,14alpha-trimethyl-12,15,20-trioxo-5alpha-pregn-9(11)-ene (CHEBI:218555) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3S,7S,10S,14R,15S,18R)-15-acetyl-7-hydroxy-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-13,17-dione
Manual XrefsDatabases
78439433ChemSpider