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(Q105255926)
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English
[(4R)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexen-1-yl]methyl furan-2-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[4-(2-Hydroxy-6-methylhept-5-en-2-yl)cyclohexen-1-yl]methyl furan-2-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
332.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₄
0 references
canonical SMILES
O=C(OCC1=CCC(CC1)C(O)(C)CCC=C(C)C)C=2OC=CC2
0 references
isomeric SMILES
CC(C)=CCC[C@@](C)(O)[C@H]1CC=C(COC(=O)c2ccco2)CC1
0 references
found in taxon
Podolepis rugata
2 references
stated in
Pyrones and other constituents from Podolepis species
stated in
Pyrones and other constituents from Podolepis species
Identifiers
InChI
InChI=1S/C20H28O4/c1-15(2)6-4-12-20(3,22)17-10-8-16(9-11-17)14-24-19(21)18-7-5-13-23-18/h5-8,13,17,22H,4,9-12,14H2,1-3H3/t17-,20+/m0/s1
0 references
InChIKey
SMHIKDBMNREKKM-FXAWDEMLSA-N
0 references
PubChem CID
162995113
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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