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benzyl 6-heptyl-2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)benzyloxy]benzoate
SpectraBase Compound ID 2A7ijQSoYss
InChI InChI=1S/C36H44O8/c1-4-6-8-9-14-17-26-20-30(23-32(39)33(26)35(40)43-24-25-15-12-10-13-16-25)44-36(41)34-27(19-28(37)18-11-7-5-2)21-29(42-3)22-31(34)38/h10,12-13,15-16,20-23,38-39H,4-9,11,14,17-19,24H2,1-3H3
InChIKey ANVYCKQBTPIZBO-UHFFFAOYSA-N
Mol Weight 604.7 g/mol
Molecular Formula C36H44O8
Exact Mass 604.303618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Saj8wFQXhs
Name benzyl 6-heptyl-2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)benzyloxy]benzoate
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Formula C36H44O8
InChI InChI=1S/C36H44O8/c1-4-6-8-9-14-17-26-20-30(23-32(39)33(26)35(40)43-24-25-15-12-10-13-16-25)44-36(41)34-27(19-28(37)18-11-7-5-2)21-29(42-3)22-31(34)38/h10,12-13,15-16,20-23,38-39H,4-9,11,14,17-19,24H2,1-3H3
InChIKey ANVYCKQBTPIZBO-UHFFFAOYSA-N
Molecular Weight 604.740 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CC(=O)CCCCC)OC)O)=O)cc(c1C(OCc1ccccc1)=O)CCCCCCC
SPLASH splash10-0006-9000000000-8640cd2c0fc2da9a87ce
Source of Spectrum JA-50-479-0
Synonyms Benzyl 6-heptyl-2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)benzyloxy]benzoate 2-Heptyl-6-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)phenyl]-oxomethoxy]benzoic acid (phenylmethyl) ester benzyl 2-heptyl-6-hydroxy-4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxybenzoate benzyl 2-heptyl-6-hydroxy-4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-benzoate (phenylmethyl) 2-heptyl-4-[4-methoxy-2-oxidanyl-6-(2-oxidanylideneheptyl)phenyl]carbonyloxy-6-oxidanyl-benzoate
Wiley ID 1410489