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Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
SpectraBase Compound ID JuGVPkXYRtZ
InChI InChI=1S/C22H24O8/c1-9-10(2)19(13(5)20(28-6)16(9)21(26)29-7)30-22(27)15-11(3)14(8-23)17(24)12(4)18(15)25/h8,24-25H,1-7H3
InChIKey ZHBJFQGELYBOFX-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 8cTQD3NdfjX
Name Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
CAS Registry Number 113689-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O8
InChI InChI=1S/C22H24O8/c1-9-10(2)19(13(5)20(28-6)16(9)21(26)29-7)30-22(27)15-11(3)14(8-23)17(24)12(4)18(15)25/h8,24-25H,1-7H3
InChIKey ZHBJFQGELYBOFX-UHFFFAOYSA-N
Molecular Weight 416.426 g/mol
SMILES Oc1c(c(c(c(c1C)O)C(Oc1c(c(OC)c(c(c1C)C)C(=O)OC)C)=O)C)C=O
SPLASH splash10-0006-0910000000-b269ed7c447b850ad990
Source of Spectrum B-40-2029-9
Synonyms 3-Methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl 3-formyl-4,6-dihydroxy-2,5-dimethylbenzoate 3-Methoxy-4-methoxycarbonyl-2,5,6-trimethylphenyl 5-formyl-2,4-dihydroxy-3,6-dimethylbenzoate (2'-O-methylisopseudocyphellarin a)
Wiley ID 1376311