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benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)-benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate

View entire compound with spectra: 1 MS (GC)

benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)-benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate
SpectraBase Compound ID 2lBhp3Z9YBy
InChI InChI=1S/C39H48O9/c1-5-7-9-10-15-19-31(41)21-29-23-33(25-35(46-4)37(29)38(43)47-26-27-16-13-11-14-17-27)48-39(44)36-28(20-30(40)18-12-8-6-2)22-32(45-3)24-34(36)42/h11,13-14,16-17,22-25,42H,5-10,12,15,18-21,26H2,1-4H3
InChIKey UNLAJZDOPACJTK-UHFFFAOYSA-N
Mol Weight 660.8 g/mol
Molecular Formula C39H48O9
Exact Mass 660.329833 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SCfMOkiFme
Name benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)-benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H48O9
InChI InChI=1S/C39H48O9/c1-5-7-9-10-15-19-31(41)21-29-23-33(25-35(46-4)37(29)38(43)47-26-27-16-13-11-14-17-27)48-39(44)36-28(20-30(40)18-12-8-6-2)22-32(45-3)24-34(36)42/h11,13-14,16-17,22-25,42H,5-10,12,15,18-21,26H2,1-4H3
InChIKey UNLAJZDOPACJTK-UHFFFAOYSA-N
Molecular Weight 660.804 g/mol
SMILES Oc1c(C(Oc2cc(OC)c(c(c2)CC(=O)CCCCCCC)C(OCc2ccccc2)=O)=O)c(cc(c1)OC)CC(=O)CCCCC
SPLASH splash10-0006-9000000000-403124f514a40545a10c
Source of Spectrum B-50-484-34
Synonyms 2-Hydroxy-4-methoxy-6-(2-oxoheptyl)benzoic acid[3-methoxy-5-(2-oxononyl)-4-phenylmethoxycarbonylphenyl]ester 2-Hydroxy-6-(2-ketoheptyl)-4-methoxy-benzoic acid[4-carbobenzoxy-3-(2-ketononyl)-5-methoxy-phenyl]ester 4-[(benzyloxy)carbonyl]-3-methoxy-5-(2-oxononyl)phenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate Benzyl 2'-O-methylhyperphyllinate Benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)-benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate [3-methoxy-5-(2-oxidanylidenenonyl)-4-phenylmethoxycarbonyl-phenyl]4-methoxy-2-oxidanyl-6-(2-oxidanylideneheptyl)benzoate [3-methoxy-5-(2-oxononyl)-4-phenylmethoxycarbonylphenyl]2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate 2-Hydroxy-4-methoxy-6-(2-oxoheptyl)benzoic acid [3-methoxy-5-(2-oxononyl)-4-phenylmethoxycarbonylphenyl] ester [3-methoxy-5-(2-oxononyl)-4-phenylmethoxycarbonylphenyl] 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate [4-benzyloxycarbonyl-3-methoxy-5-(2-oxononyl)phenyl] 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate [3-methoxy-5-(2-oxidanylidenenonyl)-4-phenylmethoxycarbonyl-phenyl] 4-methoxy-2-oxidanyl-6-(2-oxidanylideneheptyl)benzoate
Wiley ID 745670