(3S)-3,7-dimethyloct-7-en-1-yl phenylacetate
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http://purl.obolibrary.org/obo/CHEBI_142274
A carboxylic ester resulting from the formal condensation of phenylacetic acid with (3S)-3,7-dimethyloct-7-en-1-ol.
Term info
Label
(3S)-3,7-dimethyloct-7-en-1-yl phenylacetate
Synonyms
- (3S)-3,7-dimethyloct-7-en-1-yl phenylacetate
Subsets
3_STAR
charge
0
formula
C18H26O2
has obo namespace
chebi_ontology
has related synonym
(S)-3,7-dimethyl-7-octenyl benzeneacetate, [(3S)-3,7-dimethyloct-7-enyl] 2-phenylacetate, (3S)-3,7-dimethyloct-7-enyl-2-phenylacetate, rhodinyl phenylacetate, (S)-3,7-dimethyloct-7-enyl phenylacetate
id
CHEBI:142274
inchi
InChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,16H,1,7-9,12-14H2,2-3H3/t16-/m0/s1
inchikey
SKZDJVXLRPCFQC-INIZCTEOSA-N
mass
274.399
monoisotopicmass
274.19328
smiles
C1=CC(=CC=C1)CC(OCC[C@H](CCCC(=C)C)C)=O
Term relations
Subclass of:
- carboxylic ester
- olefinic compound
- has role some flavouring agent
- has functional parent some phenylacetic acid