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English
(2E)-3-{3,5-dimethoxy-4-[(3-methylbutanoyl)oxy]phenyl}prop-2-en-1-yl 3-methylbutanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-[3,5-Dimethoxy-4-(3-methylbutanoyloxy)phenyl]prop-2-enyl 3-methylbutanoate
1 reference
based on heuristic
inferred from InChIKey
mass
378.20423868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₆
0 references
canonical SMILES
O=C(OC1=C(OC)C=C(C=CCOC(=O)CC(C)C)C=C1OC)CC(C)C
0 references
isomeric SMILES
COc1cc(/C=C/COC(=O)CC(C)C)cc(OC)c1OC(=O)CC(C)C
1 reference
based on heuristic
inferred from InChI
found in taxon
Artemisia assoana
2 references
stated in
Phenolic and acetylenic metabolites from Artemisia assoana
stated in
Phenolic and acetylenic metabolites from Artemisia assoana
Inula crithmoides
1 reference
stated in
Chlorinated thymol derivatives from Inula crithmoides
Inula multicaulis
1 reference
stated in
Chlorinated thymol derivatives from Inula crithmoides
Identifiers
InChI
InChI=1S/C21H30O6/c1-14(2)10-19(22)26-9-7-8-16-12-17(24-5)21(18(13-16)25-6)27-20(23)11-15(3)4/h7-8,12-15H,9-11H2,1-6H3/b8-7+
0 references
InChIKey
RKTHCRKFQVOZAW-BQYQJAHWSA-N
0 references
PubChem CID
14753640
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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