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Benzoic acid, 2-hydroxy-4-[(6-hydroxy-3,4-dimethoxy-2-methylbenzoyl)oxy]-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
SpectraBase Compound ID 5dlfRitA6cr
InChI InChI=1S/C26H24O11/c1-11-6-14(8-16(27)20(11)24(30)31)36-25(32)21-12(2)7-15(9-17(21)28)37-26(33)22-13(3)23(35-5)19(34-4)10-18(22)29/h6-10,27-29H,1-5H3,(H,30,31)
InChIKey JJGJURLQFWNLSP-UHFFFAOYSA-N
Mol Weight 512.47 g/mol
Molecular Formula C26H24O11
Exact Mass 512.131862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjjcJGwmYVA
Name Benzoic acid, 2-hydroxy-4-[(6-hydroxy-3,4-dimethoxy-2-methylbenzoyl)oxy]-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
CAS Registry Number 61774-53-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24O11
InChI InChI=1S/C26H24O11/c1-11-6-14(8-16(27)20(11)24(30)31)36-25(32)21-12(2)7-15(9-17(21)28)37-26(33)22-13(3)23(35-5)19(34-4)10-18(22)29/h6-10,27-29H,1-5H3,(H,30,31)
InChIKey JJGJURLQFWNLSP-UHFFFAOYSA-N
Molecular Weight 512.467 g/mol
SMILES Oc1cc(cc(c1C(Oc1cc(c(C(=O)O)c(c1)O)C)=O)C)OC(c1c(c(OC)c(cc1O)OC)C)=O
SPLASH splash10-0udl-0900000000-0a924651ab557a7d15e0
Source of Spectrum B-29-2704-0
Synonyms 2-Hydroxy-4-({2-hydroxy-4-[(6-hydroxy-3,4-dimethoxy-2-methylbenzoyl)oxy]-6-methylbenzoyl}oxy)-6-methylbenzoic acid 4,5-Di-O-methylhiascic acid
Wiley ID 1400781