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Benzoic acid, 2-hydroxy-4-[(4-hydroxy-2,3-dimethoxy-6-methylbenzoyl)oxy]-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
SpectraBase Compound ID 7I3DLZBd7l5
InChI InChI=1S/C26H24O11/c1-11-6-14(9-16(27)19(11)24(30)31)36-25(32)20-12(2)7-15(10-17(20)28)37-26(33)21-13(3)8-18(29)22(34-4)23(21)35-5/h6-10,27-29H,1-5H3,(H,30,31)
InChIKey KZBAQNKNDCEFHX-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 8xXcraKXvuC
Name Benzoic acid, 2-hydroxy-4-[(4-hydroxy-2,3-dimethoxy-6-methylbenzoyl)oxy]-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
CAS Registry Number 124281-23-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24O11
InChI InChI=1S/C26H24O11/c1-11-6-14(9-16(27)19(11)24(30)31)36-25(32)20-12(2)7-15(10-17(20)28)37-26(33)21-13(3)8-18(29)22(34-4)23(21)35-5/h6-10,27-29H,1-5H3,(H,30,31)
InChIKey KZBAQNKNDCEFHX-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(cc1C)O)OC)=O
SPLASH splash10-0fdk-0900000000-a293abec03148cd48e79
Source of Spectrum B-42-770-5
Synonyms 2-Hydroxy-4-({2-hydroxy-4-[(4-hydroxy-2,3-dimethoxy-6-methylbenzoyl)oxy]-6-methylbenzoyl}oxy)-6-methylbenzoic acid 3-Methoxyumbilicaric acid
Wiley ID 1400782