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Benzoic acid, 2-hydroxy-4-[[2-hydroxy-6-(2-oxopentyl)-4-(phenylmethoxy)benzoyl]oxy]-6-(2-oxopentyl)-, phenylmethyl ester
SpectraBase Compound ID 46dXvZfRUXN
InChI InChI=1S/C38H38O9/c1-3-11-29(39)17-27-19-31(45-23-25-13-7-5-8-14-25)21-33(41)36(27)38(44)47-32-20-28(18-30(40)12-4-2)35(34(42)22-32)37(43)46-24-26-15-9-6-10-16-26/h5-10,13-16,19-22,41-42H,3-4,11-12,17-18,23-24H2,1-2H3
InChIKey JKAQRGDZJVHPBP-UHFFFAOYSA-N
Mol Weight 638.7 g/mol
Molecular Formula C38H38O9
Exact Mass 638.251583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UvS1iUU5y7
Name Benzoic acid, 2-hydroxy-4-[[2-hydroxy-6-(2-oxopentyl)-4-(phenylmethoxy)benzoyl]oxy]-6-(2-oxopentyl)-, phenylmethyl ester
CAS Registry Number 127743-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H38O9
InChI InChI=1S/C38H38O9/c1-3-11-29(39)17-27-19-31(45-23-25-13-7-5-8-14-25)21-33(41)36(27)38(44)47-32-20-28(18-30(40)12-4-2)35(34(42)22-32)37(43)46-24-26-15-9-6-10-16-26/h5-10,13-16,19-22,41-42H,3-4,11-12,17-18,23-24H2,1-2H3
InChIKey JKAQRGDZJVHPBP-UHFFFAOYSA-N
Molecular Weight 638.713 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CC(=O)CCC)OCc2ccccc2)O)=O)cc(c1C(OCc1ccccc1)=O)CC(=O)CCC
SPLASH splash10-0006-9000000000-5a84b0d3fb375c9a27cb
Source of Spectrum B-42-1980-42
Synonyms 4-[(benzyloxy)carbonyl]-3-hydroxy-5-(2-oxopentyl)phenyl 4-(benzyloxy)-2-hydroxy-6-(2-oxopentyl)benzoate Benzyl 4-O-benzyl-4-O-demethylglomellate Benzyl 4-[4'-benzyloxy-2'-hydroxy-6'-(2''-oxopentyl)benzoyloxy]-2-hydroxy-6-(oxopentyl)benzoate
Wiley ID 1412525