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CHEBI:184940 - 3beta-Acetoxy-4-oplopanone

ChEBI IDCHEBI:184940
ChEBI Name3beta-Acetoxy-4-oplopanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O4
Net Charge0
Average Mass296.407
Monoisotopic Mass296.19876
SMILES[H][C@@]12C[C@H](OC(C)=O)C(C(C)=O)[C@@]1([H])[C@H](C(C)C)CC[C@@]2(C)O
InChIInChI=1S/C17H28O4/c1-9(2)12-6-7-17(5,20)13-8-14(21-11(4)19)15(10(3)18)16(12)13/h9,12-16,20H,6-8H2,1-5H3/t12-,13+,14-,15?,16-,17+/m0/s1
InChIKeyYNNDVHBDEXCUNO-QIPOYEBXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3beta-Acetoxy-4-oplopanone (CHEBI:184940) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2S,3aS,4S,7R,7aR)-3-acetyl-7-hydroxy-7-methyl-4-propan-2-yl-1,2,3,3a,4,5,6,7a-octahydroinden-2-yl] acetate
Manual XrefsDatabases
24846703ChemSpider