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MAX

Summary
Name:MATAIRESINOL
Synonyms:ARTIGENIN CONGENER
DIBENZYLBUTYROLACTONE LIGNANOLIDE
Formula:C20 H22 O6
Formal charge:0
Formula weight:358.385 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3R,4R)-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one
OpenEye OEToolkits1.5.0(3R,4R)-3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]oxolan-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2OCC(Cc1cc(OC)c(O)cc1)C2Cc3ccc(O)c(OC)c3
SMILES_CANONICALCACTVS3.341COc1cc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O)c(OC)c3)ccc1O
SMILESCACTVS3.341COc1cc(C[CH]2COC(=O)[CH]2Cc3ccc(O)c(OC)c3)ccc1O
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cc(ccc1O)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O
SMILESOpenEye OEToolkits1.5.0COc1cc(ccc1O)CC2COC(=O)C2Cc3ccc(c(c3)OC)O
InChIInChI1.03InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
InChIKeyInChI1.03MATGKVZWFZHCLI-LSDHHAIUSA-N

217705

PDB entries from 2024-03-27

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