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Benzyl 4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxy-6-(2-oxoheptyl)benzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzyl 4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxy-6-(2-oxoheptyl)benzoate
SpectraBase Compound ID JUaCqOX8txV
InChI InChI=1S/C39H48O10/c1-5-7-10-16-30(40)20-28-21-32(24-34(45-4)36(28)37(42)46-26-27-14-11-9-12-15-27)49-38(43)35-29(22-31(44-3)23-33(35)41)25-39(17-13-8-6-2)47-18-19-48-39/h9,11-12,14-15,21-24,41H,5-8,10,13,16-20,25-26H2,1-4H3
InChIKey ATNUGXLSQZERLB-UHFFFAOYSA-N
Mol Weight 676.8 g/mol
Molecular Formula C39H48O10
Exact Mass 676.324748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5eI6RsW67l
Name Benzyl 4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxy-6-(2-oxoheptyl)benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 676.324747736 u
Formula C39H48O10
InChI InChI=1S/C39H48O10/c1-5-7-10-16-30(40)20-28-21-32(24-34(45-4)36(28)37(42)46-26-27-14-11-9-12-15-27)49-38(43)35-29(22-31(44-3)23-33(35)41)25-39(17-13-8-6-2)47-18-19-48-39/h9,11-12,14-15,21-24,41H,5-8,10,13,16-20,25-26H2,1-4H3
InChIKey ATNUGXLSQZERLB-UHFFFAOYSA-N
Molecular Weight 676.803 g/mol
SMILES C1(C(OC=2C=C(OC)C(=C(C2)CC(=O)CCCCC)C(OCC=2C=CC=CC2)=O)=O)=C(CC2(OCCO2)CCCCC)C=C(C=C1O)OC