EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:174559 - alpha-Santalyl phenylacetate

ChEBI IDCHEBI:174559
ChEBI Namealpha-Santalyl phenylacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O2
Net Charge0
Average Mass338.491
Monoisotopic Mass338.22458
SMILES[H][C@@]12CC3C[C@]1([H])C2(C)[C@]3(C)CC/C=C(/C)COC(=O)Cc1ccccc1
InChIInChI=1S/C23H30O2/c1-16(15-25-21(24)12-17-9-5-4-6-10-17)8-7-11-22(2)18-13-19-20(14-18)23(19,22)3/h4-6,8-10,18-20H,7,11-15H2,1-3H3/b16-8-/t18?,19-,20+,22-,23?/m1/s1
InChIKeyISBNMFLPVWHCIH-UPMLWZHBSA-N
ChEBI Ontology
Outgoing Relation(s)
alpha-Santalyl phenylacetate (CHEBI:174559) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(Z)-5-[(1R,3R,6S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-enyl] 2-phenylacetate
Manual XrefsDatabases
32702206ChemSpider
Registry NumbersSources
CAS:77-88-3ChemIDplus