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Benzoic acid, 4-[(3,4-dihydroxy-6-methoxy-2-methylbenzoyl)oxy]-2-hydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
SpectraBase Compound ID HnJJPvfanWy
InChI InChI=1S/C25H22O11/c1-10-5-13(7-15(26)19(10)23(30)31)35-24(32)20-11(2)6-14(8-16(20)27)36-25(33)21-12(3)22(29)17(28)9-18(21)34-4/h5-9,26-29H,1-4H3,(H,30,31)
InChIKey YKNSQSGHUSVTPQ-UHFFFAOYSA-N
Mol Weight 498.44 g/mol
Molecular Formula C25H22O11
Exact Mass 498.116212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dxkJN318Wf
Name Benzoic acid, 4-[(3,4-dihydroxy-6-methoxy-2-methylbenzoyl)oxy]-2-hydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
CAS Registry Number 125287-11-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22O11
InChI InChI=1S/C25H22O11/c1-10-5-13(7-15(26)19(10)23(30)31)35-24(32)20-11(2)6-14(8-16(20)27)36-25(33)21-12(3)22(29)17(28)9-18(21)34-4/h5-9,26-29H,1-4H3,(H,30,31)
InChIKey YKNSQSGHUSVTPQ-UHFFFAOYSA-N
Molecular Weight 498.440 g/mol
SMILES Oc1cc(cc(c1C(Oc1cc(c(C(=O)O)c(c1)O)C)=O)C)OC(c1c(c(O)c(cc1OC)O)C)=O
SPLASH splash10-00di-0900000000-705e38b2c56f7ff2a3c5
Source of Spectrum B-42-1425-6
Synonyms 2-O-methylhiascic acid 4-({4-[(3,4-dihydroxy-6-methoxy-2-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoyl}oxy)-2-hydroxy-6-methylbenzoic acid 6-Methyl-4-[2'-methyl-4'-(2''-methoxy-4'',5''-dihydroxy-6''-methylbenzoyl)oxy-6'-hydroxybenzoyl]oxy-2-hydroxybenzoic acid
Wiley ID 1398515