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(Q105168855)
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English
1,4-O-Diferuloylsecoisolariciresinol
group of stereoisomers with the chemical formula C₄₀H₄₂O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
714.2676267840003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₀H₄₂O₁₂
0 references
canonical SMILES
O=C(OCC(CC1=CC=C(O)C(OC)=C1)C(COC(=O)C=CC2=CC=C(O)C(OC)=C2)CC3=CC=C(O)C(OC)=C3)C=CC4=CC=C(O)C(OC)=C4
0 references
found in taxon
Cinnamomum osmophloeum
1 reference
stated in
Cytotoxic lignan esters from Cinnamomum osmophloeum
Identifiers
InChI
InChI=1S/C40H42O12/c1-47-35-19-25(5-11-31(35)41)9-15-39(45)51-23-29(17-27-7-13-33(43)37(21-27)49-3)30(18-28-8-14-34(44)38(22-28)50-4)24-52-40(46)16-10-26-6-12-32(42)36(20-26)48-2/h5-16,19-22,29-30,41-44H,17-18,23-24H2,1-4H3
0 references
InChIKey
MOFDLYLEJWQRHD-UHFFFAOYSA-N
0 references
PubChem CID
74348715
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MOFDLYLEJWQRHD-UHFFFAOYSA-N
UniChem compound ID
77307121
1 reference
stated in
UniChem
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