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benzyl 4-[4'-benzyloxy-6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxybenzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate

View entire compound with spectra: 2 MS (GC)

benzyl 4-[4'-benzyloxy-6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxybenzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate
SpectraBase Compound ID GLkpnzmLT2T
InChI InChI=1S/C49H60O10/c1-4-6-8-10-18-24-40(50)28-38-29-42(32-44(54-3)46(38)47(52)56-35-37-22-16-13-17-23-37)59-48(53)45-39(33-49(57-26-27-58-49)25-19-11-9-7-5-2)30-41(31-43(45)51)55-34-36-20-14-12-15-21-36/h12-17,20-23,29-32,51H,4-11,18-19,24-28,33-35H2,1-3H3
InChIKey LHCHBUCQTIOZFD-UHFFFAOYSA-N
Mol Weight 809.0 g/mol
Molecular Formula C49H60O10
Exact Mass 808.418648 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KvI5EoVYeX
Name benzyl 4-[4'-benzyloxy-6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxybenzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H60O10
InChI InChI=1S/C49H60O10/c1-4-6-8-10-18-24-40(50)28-38-29-42(32-44(54-3)46(38)47(52)56-35-37-22-16-13-17-23-37)59-48(53)45-39(33-49(57-26-27-58-49)25-19-11-9-7-5-2)30-41(31-43(45)51)55-34-36-20-14-12-15-21-36/h12-17,20-23,29-32,51H,4-11,18-19,24-28,33-35H2,1-3H3
InChIKey LHCHBUCQTIOZFD-UHFFFAOYSA-N
Molecular Weight 809.009 g/mol
SMILES Oc1c(C(Oc2cc(OC)c(c(c2)CC(=O)CCCCCCC)C(OCc2ccccc2)=O)=O)c(CC2(OCCO2)CCCCCCC)cc(c1)OCc1ccccc1
SPLASH splash10-0006-9000000000-685861b069f2f3309e83
Source of Spectrum JA-49-917-0
Synonyms 4-[(benzyloxy)carbonyl]-3-methoxy-5-(2-oxononyl)phenyl 4-(benzyloxy)-2-[(2-heptyl-1,3-dioxolan-2-yl)methyl]-6-hydroxybenzoate Benzyl 4-[4'-benzyloxy-6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxybenzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate
Wiley ID 1417274