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Benzoic acid, 2-hydroxy-6-methyl-4-[(2,3,4-trimethoxy-6-methylbenzoyl)oxy]-, 4-carboxy-3-hydroxy-5-methylphenyl ester
SpectraBase Compound ID ByYR75CrpuB
InChI InChI=1S/C27H26O11/c1-12-7-15(10-17(28)20(12)25(30)31)37-26(32)21-13(2)8-16(11-18(21)29)38-27(33)22-14(3)9-19(34-4)23(35-5)24(22)36-6/h7-11,28-29H,1-6H3,(H,30,31)
InChIKey GDEGZLSRUPNXAP-UHFFFAOYSA-N
Mol Weight 526.49 g/mol
Molecular Formula C27H26O11
Exact Mass 526.147512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wuaZwyvf3a
Name Benzoic acid, 2-hydroxy-6-methyl-4-[(2,3,4-trimethoxy-6-methylbenzoyl)oxy]-, 4-carboxy-3-hydroxy-5-methylphenyl ester
CAS Registry Number 79004-06-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26O11
InChI InChI=1S/C27H26O11/c1-12-7-15(10-17(28)20(12)25(30)31)37-26(32)21-13(2)8-16(11-18(21)29)38-27(33)22-14(3)9-19(34-4)23(35-5)24(22)36-6/h7-11,28-29H,1-6H3,(H,30,31)
InChIKey GDEGZLSRUPNXAP-UHFFFAOYSA-N
Molecular Weight 526.494 g/mol
SMILES Oc1cc(cc(c1C(Oc1cc(c(C(=O)O)c(c1)O)C)=O)C)OC(c1c(c(OC)c(cc1C)OC)OC)=O
SPLASH splash10-0a4i-0390000000-af5cee265d1ff1a1ef39
Source of Spectrum B-34-1155-0
Synonyms 2-Hydroxy-4-({2-hydroxy-6-methyl-4-[(2,3,4-trimethoxy-6-methylbenzoyl)oxy]benzoyl}oxy)-6-methylbenzoic acid 3-Methoxy-2,4-di-O-methylgyrophoric acid
Wiley ID 1402801