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Benzoic acid, 3-formyl-2,4-dihydroxy-5,6-dimethyl-, 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
SpectraBase Compound ID BIMS1fJCYio
InChI InChI=1S/C22H24O8/c1-9-11(3)17(24)14(8-23)18(25)15(9)22(27)30-19-12(4)10(2)16(21(26)29-7)20(28-6)13(19)5/h8,24-25H,1-7H3
InChIKey IYLZMLGKMBXQEG-UHFFFAOYSA-N
Mol Weight 416.43 g/mol
Molecular Formula C22H24O8
Exact Mass 416.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4EEatQMBoG
Name Benzoic acid, 3-formyl-2,4-dihydroxy-5,6-dimethyl-, 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
CAS Registry Number 113689-51-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O8
InChI InChI=1S/C22H24O8/c1-9-11(3)17(24)14(8-23)18(25)15(9)22(27)30-19-12(4)10(2)16(21(26)29-7)20(28-6)13(19)5/h8,24-25H,1-7H3
InChIKey IYLZMLGKMBXQEG-UHFFFAOYSA-N
Molecular Weight 416.426 g/mol
SMILES Oc1c(c(c(c(c1C)C)C(Oc1c(c(OC)c(c(c1C)C)C(=O)OC)C)=O)O)C=O
SPLASH splash10-0006-0910000000-45f9afa35e353200a8d4
Source of Spectrum B-40-2028-3
Synonyms 3-Methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl 3-formyl-2,4-dihydroxy-5,6-dimethylbenzoate 3-Methoxy-4-methoxycarbonyl-2,5,6-trimethylphenyl 3-formyl-2,4-dihydroxy-5,6-dimethylbenzoate(2'-O-methylpseudocyphellarin
Wiley ID 1376310