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Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, 3-methoxy-4-(methoxycarbonyl)-2,5-dimethylphenyl ester
SpectraBase Compound ID 25pUeBP2Gvg
InChI InChI=1S/C20H20O8/c1-9-6-13(22)12(8-21)17(23)15(9)20(25)28-14-7-10(2)16(19(24)27-5)18(26-4)11(14)3/h6-8,22-23H,1-5H3
InChIKey JYNMXZAQJOLHEB-UHFFFAOYSA-N
Mol Weight 388.37 g/mol
Molecular Formula C20H20O8
Exact Mass 388.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VpxzfgC5Su
Name Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, 3-methoxy-4-(methoxycarbonyl)-2,5-dimethylphenyl ester
CAS Registry Number 69168-11-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O8
InChI InChI=1S/C20H20O8/c1-9-6-13(22)12(8-21)17(23)15(9)20(25)28-14-7-10(2)16(19(24)27-5)18(26-4)11(14)3/h6-8,22-23H,1-5H3
InChIKey JYNMXZAQJOLHEB-UHFFFAOYSA-N
Molecular Weight 388.372 g/mol
SMILES Oc1cc(c(c(c1C=O)O)C(Oc1c(c(OC)c(c(c1)C)C(=O)OC)C)=O)C
SPLASH splash10-004i-0910000000-2454a57bc2ba539bb44a
Source of Spectrum B-42-1195-1
Synonyms 2'-O-methylatranorin 3-Methoxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3-formyl-2,4-dihydroxy-6-methylbenzoate Methyl 4-(3-formyl-2,4-dihydroxy-6-methylbenzoyloxy)-2-methoxy-3,6-dimethylbenzoate
Wiley ID 1363716