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Benzyl 2-o-benzyl-3-methoxy-4-o-methylgyrophorate
SpectraBase Compound ID Hh3sDe6nWdZ
InChI InChI=1S/C40H36O11/c1-23-16-28(19-30(41)33(23)38(43)49-22-27-14-10-7-11-15-27)50-39(44)34-24(2)17-29(20-31(34)42)51-40(45)35-25(3)18-32(46-4)36(47-5)37(35)48-21-26-12-8-6-9-13-26/h6-20,41-42H,21-22H2,1-5H3
InChIKey KJTKKZGMYIGXMM-UHFFFAOYSA-N
Mol Weight 692.7 g/mol
Molecular Formula C40H36O11
Exact Mass 692.225762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97xhWgb3jI6
Name Benzyl 2-O-benzyl-3-methoxy-4-O-methylgyrophorate
Comments Less than 3 mono-isotopic peaks
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Formula C40H36O11
InChI InChI=1S/C40H36O11/c1-23-16-28(19-30(41)33(23)38(43)49-22-27-14-10-7-11-15-27)50-39(44)34-24(2)17-29(20-31(34)42)51-40(45)35-25(3)18-32(46-4)36(47-5)37(35)48-21-26-12-8-6-9-13-26/h6-20,41-42H,21-22H2,1-5H3
InChIKey KJTKKZGMYIGXMM-UHFFFAOYSA-N
Molecular Weight 692.717 g/mol
SMILES Oc1cc(cc(c1C(Oc1cc(c(c(c1)C)C(OCc1ccccc1)=O)O)=O)C)OC(c1c(c(OC)c(cc1C)OC)OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-20ed3f7279c87706feef
Source of Spectrum B-51-1049-23
Synonyms 4-({4-[(benzyloxy)carbonyl]-3-hydroxy-5-methylphenoxy}carbonyl)-3-hydroxy-5-methylphenyl 2-(benzyloxy)-3,4-dimethoxy-6-methylbenzoate
Wiley ID 745873