Threo-Guaiacylglycerol-Beta-O-4'-Dehydrodisinapyl Ether
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Threo-Guaiacylglycerol-Beta-O-4'-Dehydrodisinapyl Ether

CAS 844637-85-0
Synonyms 1,3-Propanediol, 2-[4-[2,3-dihydro-3-(hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2-benzofuranyl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)-, (1R,2R)-rel-
IUPAC Name (1R,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy]propane-1,3-diol
Molecular Weight 584.61
Molecular Formula C31H36O11
Canonical SMILES COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C(=C3)OC)OC(CO)C(C4=CC(=C(C=C4)O)OC)O)OC)C=CCO
InChI InChI=1S/C31H36O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h5-8,10-14,21,27-29,32-36H,9,15-16H2,1-4H3/b6-5+/t21?,27-,28-,29?/m1/s1
InChI Key LCXGTSCVCJANHX-MPALEEEBSA-N
Purity 98%
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