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(Q104938847)
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English
3-[(2E,4R)-3,7-Dimethyl-4-acetoxy-2,6-octadien-1-yl]-4-methoxy-trans-cinnamic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-[3-(4-Acetyloxy-3,7-dimethylocta-2,6-dienyl)-4-methoxyphenyl]prop-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
372.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
3-[(2E,4R)-3,7-Dimethyl-4-acetoxy-2,6-octadien-1-yl]-4-methoxy-cis-cinnamic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₈O₅
0 references
canonical SMILES
O=C(O)C=CC1=CC=C(OC)C(=C1)CC=C(C)C(OC(=O)C)CC=C(C)C
0 references
isomeric SMILES
COc1ccc(/C=C/C(=O)O)cc1C/C=C(\C)[C@@H](CC=C(C)C)OC(C)=O
0 references
found in taxon
Lorandersonia pulchella
1 reference
stated in
Geranyl derivatives of p-coumaric acid from Chrysothamnus pulchellus
Identifiers
InChI
InChI=1S/C22H28O5/c1-15(2)6-11-20(27-17(4)23)16(3)7-10-19-14-18(9-13-22(24)25)8-12-21(19)26-5/h6-9,12-14,20H,10-11H2,1-5H3,(H,24,25)/b13-9+,16-7+/t20-/m1/s1
0 references
InChIKey
BNKBJTGWXDOAKC-AHMSVKGFSA-N
0 references
PubChem CID
14484647
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97651486
1 reference
stated in
UniChem
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