CHEBI:173881 - Guaiol acetate

ChEBI IDCHEBI:173881
ChEBI NameGuaiol acetate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O2
Net Charge0
Average Mass264.409
Monoisotopic Mass264.20893
SMILES[H][C@@]1(C(C)(C)OC(C)=O)CC[C@H](C)C2=C(C1)[C@@H](C)CC2
InChIInChI=1S/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h11-12,14H,6-10H2,1-5H3/t11-,12-,14+/m0/s1
InChIKeyDRFSOBZVMGLICQ-SGMGOOAPSA-N
ChEBI Ontology
Outgoing Relation(s)
Guaiol acetate (CHEBI:173881) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl acetate
Manual XrefsDatabases
209771ChemSpider
Registry NumbersSources
CAS:134-28-1ChemIDplus