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CHEBI:202411 - 8alpha,9alpha-epoxy-4,4,14alpha-trimethyl-3,7,11,15,20-pentaoxo-5alpha-pregnane

ChEBI IDCHEBI:202411
ChEBI Name8alpha,9alpha-epoxy-4,4,14alpha-trimethyl-3,7,11,15,20-pentaoxo-5alpha-pregnane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O6
Net Charge0
Average Mass414.498
Monoisotopic Mass414.20424
SMILESCC(=O)[C@H]1CC(=O)[C@@]2(C)[C@]34O[C@@]3(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC4=O
InChIInChI=1S/C24H30O6/c1-12(25)13-9-16(27)22(6)21(13,5)11-18(29)23-20(4)8-7-15(26)19(2,3)14(20)10-17(28)24(22,23)30-23/h13-14H,7-11H2,1-6H3/t13-,14+,20+,21-,22-,23+,24+/m1/s1
InChIKeyNZNMCSYRDNCBPL-BNAOJXJXSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (11908995)
ChEBI Ontology
Outgoing Relation(s)
8alpha,9alpha-epoxy-4,4,14alpha-trimethyl-3,7,11,15,20-pentaoxo-5alpha-pregnane (CHEBI:202411) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,2S,7R,10S,11R,14S,15R)-14-acetyl-2,6,6,11,15-pentamethyl-18-oxapentacyclo[8.7.1.01,10.02,7.011,15]octadecane-5,9,12,17-tetrone
Manual XrefsDatabases
552598ChemSpider