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Benzoic acid, 2,4-bis(acetyloxy)-3-[[4-methoxy-2-(phenylmethoxy)-6-propylbenzoyl]oxy]-6-propyl-, methyl ester
SpectraBase Compound ID D5jmP6QxRbH
InChI InChI=1S/C33H36O10/c1-7-12-23-16-25(38-5)18-26(40-19-22-14-10-9-11-15-22)28(23)33(37)43-30-27(41-20(3)34)17-24(13-8-2)29(32(36)39-6)31(30)42-21(4)35/h9-11,14-18H,7-8,12-13,19H2,1-6H3
InChIKey NWJBIOKXJSGCLH-UHFFFAOYSA-N
Mol Weight 592.6 g/mol
Molecular Formula C33H36O10
Exact Mass 592.230847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6SmS5J13a10
Name Benzoic acid, 2,4-bis(acetyloxy)-3-[[4-methoxy-2-(phenylmethoxy)-6-propylbenzoyl]oxy]-6-propyl-, methyl ester
CAS Registry Number 103142-26-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H36O10
InChI InChI=1S/C33H36O10/c1-7-12-23-16-25(38-5)18-26(40-19-22-14-10-9-11-15-22)28(23)33(37)43-30-27(41-20(3)34)17-24(13-8-2)29(32(36)39-6)31(30)42-21(4)35/h9-11,14-18H,7-8,12-13,19H2,1-6H3
InChIKey NWJBIOKXJSGCLH-UHFFFAOYSA-N
Molecular Weight 592.641 g/mol
SMILES c1(c(c(C(=O)OC)c(cc1OC(=O)C)CCC)OC(=O)C)OC(c1c(cc(cc1CCC)OC)OCc1ccccc1)=O
SPLASH splash10-001i-0090000000-259da5ff0280e39fd897
Source of Spectrum B-39-623-26
Synonyms 2',6'-Diacetoxy-3'-methoxycarbonyl-4'-propylphenyl 2-benzyloxy-4-methoxy-6-propylbenzoate Methyl 2,4-bis(acetyloxy)-3-{[2-(benzyloxy)-4-methoxy-6-propylbenzoyl]oxy}-6-propylbenzoate
Wiley ID 1409494