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Benzoic acid, 4-[(4,6-dihydroxy-3-methoxy-2-methylbenzoyl)oxy]-2-hydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzoic acid, 4-[(4,6-dihydroxy-3-methoxy-2-methylbenzoyl)oxy]-2-hydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
SpectraBase Compound ID KVLod8OHznL
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(34-4)18(29)9-17(21)28/h5-9,26-29H,1-4H3,(H,30,31)
InChIKey PCRNIYQGPMXVTF-UHFFFAOYSA-N
Mol Weight 498.44 g/mol
Molecular Formula C25H22O11
Exact Mass 498.116212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 32QOFmxyeOI
Name Benzoic acid, 4-[(4,6-dihydroxy-3-methoxy-2-methylbenzoyl)oxy]-2-hydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.116211517 u
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(34-4)18(29)9-17(21)28/h5-9,26-29H,1-4H3,(H,30,31)
InChIKey PCRNIYQGPMXVTF-UHFFFAOYSA-N
Molecular Weight 498.440 g/mol
SMILES C=1(C(OC=2C=C(O)C(=C(C2)C)C(OC=2C=C(O)C(=C(C2)C)C(=O)O)=O)=O)C(=C(OC)C(=CC1O)O)C