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(Q105370589)
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English
(E)-3-(4-Hydroxy-3-methoxyphenyl)propenoic acid nonadecyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkyl caffeate ester
0 references
mass
460.355260016
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₄₈O₄
0 references
canonical SMILES
O=C(OCCCCCCCCCCCCCCCCCCC)C=CC1=CC=C(O)C(OC)=C1
0 references
isomeric SMILES
CCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(OC)c1
1 reference
based on heuristic
inferred from InChI
found in taxon
Juniperus formosana
2 references
stated in
Dehydroabietane diterpenes from Juniperus formosana hay. var. concolor hay
stated in
Dehydroabietane diterpenes from Juniperus formosana hay. var. concolor hay
Pavetta owariensis
2 references
stated in
Ferulic acid esters from stem bark of Pavetta owariensis
stated in
Ferulic acid esters from stem bark of Pavetta owariensis
Identifiers
InChI
InChI=1S/C29H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(31)23-21-26-20-22-27(30)28(25-26)32-2/h20-23,25,30H,3-19,24H2,1-2H3/b23-21+
0 references
InChIKey
ZBHBGEFUKBOWPQ-XTQSDGFTSA-N
0 references
PubChem CID
101186931
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZBHBGEFUKBOWPQ-XTQSDGFTSA-N
UniChem compound ID
96697737
1 reference
stated in
UniChem
KNApSAcK ID
C00032077
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZBHBGEFUKBOWPQ-XTQSDGFTSA-N
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