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Benzoic acid, 2-hydroxy-6-methyl-4-[(3,4,6-trimethoxy-2-methylbenzoyl)oxy]-, 4-carboxy-3-hydroxy-5-methylphenyl ester
SpectraBase Compound ID B2PY0ePVNsn
InChI InChI=1S/C27H26O11/c1-12-7-15(9-17(28)21(12)25(30)31)37-26(32)22-13(2)8-16(10-18(22)29)38-27(33)23-14(3)24(36-6)20(35-5)11-19(23)34-4/h7-11,28-29H,1-6H3,(H,30,31)
InChIKey IXIBXLAOWWBSTB-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 AhOug5G7HbZ
Name Benzoic acid, 2-hydroxy-6-methyl-4-[(3,4,6-trimethoxy-2-methylbenzoyl)oxy]-, 4-carboxy-3-hydroxy-5-methylphenyl ester
CAS Registry Number 79786-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26O11
InChI InChI=1S/C27H26O11/c1-12-7-15(9-17(28)21(12)25(30)31)37-26(32)22-13(2)8-16(10-18(22)29)38-27(33)23-14(3)24(36-6)20(35-5)11-19(23)34-4/h7-11,28-29H,1-6H3,(H,30,31)
InChIKey IXIBXLAOWWBSTB-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(cc1OC)OC)C)=O
SPLASH splash10-0a4i-0690000000-3b03a533fce29631b98b
Source of Spectrum B-34-1760-0
Synonyms 2,4,5-tri-O-methylhiascic acid 2-Hydroxy-4-({2-hydroxy-6-methyl-4-[(3,4,6-trimethoxy-2-methylbenzoyl)oxy]benzoyl}oxy)-6-methylbenzoic acid
Wiley ID 1402800