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Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-(phenylmethoxy)-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxy]-6-(2-oxopentyl)-, phenylmethyl ester
SpectraBase Compound ID FzigEJFo8SI
InChI InChI=1S/C40H42O10/c1-3-11-31(41)19-29-20-33(23-35(43)36(29)38(44)47-26-28-14-9-6-10-15-28)50-39(45)37-30(24-40(16-4-2)48-17-18-49-40)21-32(22-34(37)42)46-25-27-12-7-5-8-13-27/h5-10,12-15,20-23,42-43H,3-4,11,16-19,24-26H2,1-2H3
InChIKey VKVPIOSQASZWIA-UHFFFAOYSA-N
Mol Weight 682.8 g/mol
Molecular Formula C40H42O10
Exact Mass 682.277798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7xJnNiS5Xy
Name Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-(phenylmethoxy)-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxy]-6-(2-oxopentyl)-, phenylmethyl ester
CAS Registry Number 127743-47-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H42O10
InChI InChI=1S/C40H42O10/c1-3-11-31(41)19-29-20-33(23-35(43)36(29)38(44)47-26-28-14-9-6-10-15-28)50-39(45)37-30(24-40(16-4-2)48-17-18-49-40)21-32(22-34(37)42)46-25-27-12-7-5-8-13-27/h5-10,12-15,20-23,42-43H,3-4,11,16-19,24-26H2,1-2H3
InChIKey VKVPIOSQASZWIA-UHFFFAOYSA-N
Molecular Weight 682.766 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CC2(OCCO2)CCC)OCc2ccccc2)O)=O)cc(c1C(OCc1ccccc1)=O)CC(=O)CCC
SPLASH splash10-0006-9000000000-90a35139516ccf8b053a
Source of Spectrum B-42-1979-36
Synonyms 4-[(benzyloxy)carbonyl]-3-hydroxy-5-(2-oxopentyl)phenyl 4-(benzyloxy)-2-hydroxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoate Benzyl 4-O-benzyl-4-O-demethylglomellate ethylene acetal Benzyl 4-[4'-benzyloxy-2'-hydroxy-6'-{(2''-propyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-hydroxy-6-(2-oxopentyl)benzoate
Wiley ID 1414405