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Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy]-6-pentyl-, phenylmethyl ester
SpectraBase Compound ID 7XQsP3ln4qV
InChI InChI=1S/C32H36O8/c1-4-6-8-14-22-16-26(19-28(35)29(22)31(36)39-20-21-12-9-7-10-13-21)40-32(37)30-23(15-24(33)11-5-2)17-25(38-3)18-27(30)34/h7,9-10,12-13,16-19,34-35H,4-6,8,11,14-15,20H2,1-3H3
InChIKey GHYNELYTKJXTSD-UHFFFAOYSA-N
Mol Weight 548.6 g/mol
Molecular Formula C32H36O8
Exact Mass 548.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPXgM1UotUs
Name Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy]-6-pentyl-, phenylmethyl ester
Alternate Name(s) 4-[(benzyloxy)carbonyl]-3-hydroxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoate Benzyl 2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-{(propylcarbonylmethyl)benzoyloxy}-6-pentylbenzoate Benzyl 4-O-benzyl-4-O-demethylloxodellate Benzyl 4-[4'-benzyloxy-2'-hydroxy-6'-{(2''-oxopentyl)benzoyloxy]-2-hydroxy-6-propylbenzoate Benzyl glomelliferate
CAS Registry Number 127743-49-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H36O8
InChI InChI=1S/C32H36O8/c1-4-6-8-14-22-16-26(19-28(35)29(22)31(36)39-20-21-12-9-7-10-13-21)40-32(37)30-23(15-24(33)11-5-2)17-25(38-3)18-27(30)34/h7,9-10,12-13,16-19,34-35H,4-6,8,11,14-15,20H2,1-3H3
InChIKey GHYNELYTKJXTSD-UHFFFAOYSA-N
Molecular Weight 548.632 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CC(=O)CCC)OC)O)=O)cc(c1C(OCc1ccccc1)=O)CCCCC
SPLASH splash10-0006-9010000000-de1c3f085a82446efb13
Source of Spectrum B-42-1979-38
Wiley ID 1405502