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

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

Benzyl 2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-6-(2-oxoheptyl)benzoate
SpectraBase Compound ID 6gqNSeadLvJ
InChI InChI=1S/C38H46O10/c1-4-6-11-16-38(46-17-12-18-47-38)24-28-21-30(44-3)22-32(40)35(28)37(43)48-31-20-27(19-29(39)15-7-5-2)34(33(41)23-31)36(42)45-25-26-13-9-8-10-14-26/h8-10,13-14,20-23,40-41H,4-7,11-12,15-19,24-25H2,1-3H3
InChIKey HHYYMLHDSWPURS-UHFFFAOYSA-N
Mol Weight 662.8 g/mol
Molecular Formula C38H46O10
Exact Mass 662.309098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJMpufP81GO
Name Benzyl 2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-6-(2-oxoheptyl)benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 662.309097671 u
Formula C38H46O10
InChI InChI=1S/C38H46O10/c1-4-6-11-16-38(46-17-12-18-47-38)24-28-21-30(44-3)22-32(40)35(28)37(43)48-31-20-27(19-29(39)15-7-5-2)34(33(41)23-31)36(42)45-25-26-13-9-8-10-14-26/h8-10,13-14,20-23,40-41H,4-7,11-12,15-19,24-25H2,1-3H3
InChIKey HHYYMLHDSWPURS-UHFFFAOYSA-N
Molecular Weight 662.776 g/mol
SMILES C1(C(OC=2C=C(O)C(=C(C2)CC(=O)CCCC)C(OCC=2C=CC=CC2)=O)=O)=C(CC2(OCCCO2)CCCCC)C=C(C=C1O)OC