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Benzoic acid, 2-hydroxy-4-[[2-hydroxy-6-(2-oxopentyl)-4-(phenylmethoxy)benzoyl]oxy]-6-pentyl-, phenylmethyl ester
SpectraBase Compound ID 6aWsUjlVxeC
InChI InChI=1S/C38H40O8/c1-3-5-8-18-28-20-32(23-34(41)35(28)37(42)45-25-27-16-11-7-12-17-27)46-38(43)36-29(19-30(39)13-4-2)21-31(22-33(36)40)44-24-26-14-9-6-10-15-26/h6-7,9-12,14-17,20-23,40-41H,3-5,8,13,18-19,24-25H2,1-2H3
InChIKey ZUQNOUMKNNDWSN-UHFFFAOYSA-N
Mol Weight 624.7 g/mol
Molecular Formula C38H40O8
Exact Mass 624.272318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtBVi7BtS9z
Name Benzoic acid, 2-hydroxy-4-[[2-hydroxy-6-(2-oxopentyl)-4-(phenylmethoxy)benzoyl]oxy]-6-pentyl-, phenylmethyl ester
CAS Registry Number 127743-51-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H40O8
InChI InChI=1S/C38H40O8/c1-3-5-8-18-28-20-32(23-34(41)35(28)37(42)45-25-27-16-11-7-12-17-27)46-38(43)36-29(19-30(39)13-4-2)21-31(22-33(36)40)44-24-26-14-9-6-10-15-26/h6-7,9-12,14-17,20-23,40-41H,3-5,8,13,18-19,24-25H2,1-2H3
InChIKey ZUQNOUMKNNDWSN-UHFFFAOYSA-N
Molecular Weight 624.730 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CC(=O)CCC)OCc2ccccc2)O)=O)cc(c1C(OCc1ccccc1)=O)CCCCC
SPLASH splash10-0006-9032000000-c42801206db149898a67
Source of Spectrum B-42-1980-40
Synonyms 4-[(benzyloxy)carbonyl]-3-hydroxy-5-pentylphenyl 4-(benzyloxy)-2-hydroxy-6-(2-oxopentyl)benzoate Benzyl 4-O-benzyl-4-O-demethylglomelliferate Benzyl 4-[4'-benzyloxy-2'-hydroxy-6'-{(2''-oxopentyl)benzoyloxy]-2-hydroxy-6-pentylbenzoate
Wiley ID 1411793