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

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Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]- 6-methylbenzoyl]oxy]-6-methyl-, 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl ester
SpectraBase Compound ID C9zGK9e1Hgp
InChI InChI=1S/C34H30O13/c1-15-7-19(43-5)11-23(35)28(15)32(40)46-21-9-17(3)30(25(37)13-21)34(42)47-22-10-18(4)29(26(38)14-22)33(41)45-20-8-16(2)27(24(36)12-20)31(39)44-6/h7-14,35-38H,1-6H3
InChIKey VIOAANSIBLJPLO-UHFFFAOYSA-N
Mol Weight 646.6 g/mol
Molecular Formula C34H30O13
Exact Mass 646.168641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7FUc5oLuJ7
Name Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]- 6-methylbenzoyl]oxy]-6-methyl-, 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl ester
Alternate Name(s) 2,6-Cresotic acid, 4-methoxy-, 4-ester with 6-methyl-.beta.-resorcylic acid, 4-ester with 6-methyl-.beta.-resorcylic acid, 4-ester with methyl 6-methyl-.beta.-resorcylate 3-Hydroxy-4-(methoxycarbonyl)-5-methylphenyl 2-hydroxy-4-({2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-methylbenzoyl}oxy)-6-methylbenzoate Aphthosin 2-Hydroxy-4-methoxy-6-methylbenzoic acid [3-hydroxy-4-[[3-hydroxy-4-[(3-hydroxy-4-methoxycarbonyl-5-methylphenoxy)-oxomethyl]-5-methylphenoxy]-oxomethyl]-5-methylphenyl] ester [3-hydroxy-4-[3-hydroxy-4-(3-hydroxy-4-methoxycarbonyl-5-methylphenoxy)carbonyl-5-methylphenoxy]carbonyl-5-methylphenyl] 2-hydroxy-4-methoxy-6-methylbenzoate [3-hydroxy-4-[3-hydroxy-4-(3-hydroxy-4-methoxycarbonyl-5-methyl-phenoxy)carbonyl-5-methyl-phenoxy]carbonyl-5-methyl-phenyl] 2-hydroxy-4-methoxy-6-methyl-benzoate [4-[4-(4-methoxycarbonyl-3-methyl-5-oxidanyl-phenoxy)carbonyl-3-methyl-5-oxidanyl-phenoxy]carbonyl-3-methyl-5-oxidanyl-phenyl] 4-methoxy-2-methyl-6-oxidanyl-benzoate
CAS Registry Number 31449-13-5
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Formula C34H30O13
InChI InChI=1S/C34H30O13/c1-15-7-19(43-5)11-23(35)28(15)32(40)46-21-9-17(3)30(25(37)13-21)34(42)47-22-10-18(4)29(26(38)14-22)33(41)45-20-8-16(2)27(24(36)12-20)31(39)44-6/h7-14,35-38H,1-6H3
InChIKey VIOAANSIBLJPLO-UHFFFAOYSA-N
Molecular Weight 646.601 g/mol
SMILES Oc1cc(OC(c2c(cc(OC(c3c(cc(cc3C)OC(c3c(cc(cc3C)OC)O)=O)O)=O)cc2O)C)=O)cc(c1C(=O)OC)C
SPLASH splash10-0udi-2900000000-a295f64b52a329ca8855
Source of Spectrum B-29-1086-0
Wiley ID 1412908