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CHEBI:172505 - Cedryl acetate

Default Structure
ChEBI IDCHEBI:172505
ChEBI NameCedryl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O2
Net Charge0
Average Mass264.409
Monoisotopic Mass264.20893
SMILES[H][C@@]12CC[C@@H](C)[C@@]13CC[C@@](C)(OC(C)=O)[C@]([H])(C3)C2(C)C
InChIInChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14-,16-,17+/m1/s1
InChIKeyHQKQRXZEXPXXIG-DTWJZALFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Cedryl acetate (CHEBI:172505) is a cedrane sesquiterpenoid (CHEBI:36745)
IUPAC Name 
[(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
Manual XrefsDatabases
19952558ChemSpider
Registry NumbersSources
CAS:77-54-3ChemIDplus