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English
[3-[(2R)-2-acetyloxy-8-oxotridecyl]-5-methoxyphenyl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
0 references
mass
420.251188872
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₃₆O₆
0 references
canonical SMILES
O=C(OC=1C=C(OC)C=C(C1)CC(OC(=O)C)CCCCCC(=O)CCCCC)C
0 references
isomeric SMILES
CCCCCC(=O)CCCCC[C@H](Cc1cc(OC)cc(OC(C)=O)c1)OC(C)=O
0 references
found in taxon
Ononis natrix
1 reference
stated in
5-alkylresorcinols from Ononis natrix
Identifiers
InChI
InChI=1S/C24H36O6/c1-5-6-8-11-21(27)12-9-7-10-13-22(29-18(2)25)14-20-15-23(28-4)17-24(16-20)30-19(3)26/h15-17,22H,5-14H2,1-4H3/t22-/m1/s1
0 references
InChIKey
IRSGEMDUJNQUMV-JOCHJYFZSA-N
0 references
PubChem CID
163025538
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IRSGEMDUJNQUMV-JOCHJYFZSA-N
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