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(erythro)-1-O-(o-Chlorobenzoyl)-3-O-benzoyl-1-[4'-(benzyloxy)-3'-methoxyphenyl]-2-(4"-formyl-2"-methoxyphenoxy)propane-1,3-diol

View entire compound with spectra: 1 MS (GC)

(erythro)-1-O-(o-Chlorobenzoyl)-3-O-benzoyl-1-[4'-(benzyloxy)-3'-methoxyphenyl]-2-(4"-formyl-2"-methoxyphenoxy)propane-1,3-diol
SpectraBase Compound ID BOHErYxBJiF
InChI InChI=1S/C39H33ClO9/c1-44-34-20-27(23-41)16-18-33(34)48-36(25-47-38(42)28-12-7-4-8-13-28)37(49-39(43)30-14-9-15-31(40)21-30)29-17-19-32(35(22-29)45-2)46-24-26-10-5-3-6-11-26/h3-23,36-37H,24-25H2,1-2H3/t36-,37+/m1/s1
InChIKey MPLUUYWNLZNWML-AARKOHAPSA-N
Mol Weight 681.1 g/mol
Molecular Formula C39H33ClO9
Exact Mass 680.18131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KrH5hhaE1cA
Name (erythro)-1-O-(o-Chlorobenzoyl)-3-O-benzoyl-1-[4'-(benzyloxy)-3'-methoxyphenyl]-2-(4"-formyl-2"-methoxyphenoxy)propane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H33ClO9
InChI InChI=1S/C39H33ClO9/c1-44-34-20-27(23-41)16-18-33(34)48-36(25-47-38(42)28-12-7-4-8-13-28)37(49-39(43)30-14-9-15-31(40)21-30)29-17-19-32(35(22-29)45-2)46-24-26-10-5-3-6-11-26/h3-23,36-37H,24-25H2,1-2H3/t36-,37+/m1/s1
InChIKey MPLUUYWNLZNWML-AARKOHAPSA-N
Molecular Weight 681.137 g/mol
SMILES C(O[C@]([C@](Oc1c(cc(cc1)C=O)OC)(COC(=O)c1ccccc1)[H])(c1cc(OC)c(cc1)OCc1ccccc1)[H])(c1cc(Cl)ccc1)=O
SPLASH splash10-052u-2900110000-05542f48b79425094152
Source of Spectrum SK-32-561-7
Synonyms (erythro)-1-O-(m-Chlorobenzoyl)-3-O-benzoyl-1-(4'-benzyloxy-3'-methoxyphenyl)-2-(4''-formyl-2''-methoxyphenoxy)-propane-1,3-diol (erythro)-1-O-(m-Chlorobenzoyl)-3-O-benzoyl-1-[4'-(benzyloxy)-3'-methoxyphenyl]-2-(4''-formyl-2''-methoxyphenoxy)propane-1,3-diol (erythro)-1-[(3''-Chlorobenzoyl)oxy]-3-(benzoyloxy)-1-(4'-benzyloxy-3'-methoxyphenyl)-2-(4''-formyl-2'''-methoxyphenoxy)propane-1,3-diol (erythro)-1-[(3''-Chlorobenzoyl)oxy]-3-(benzoyloxy)-1-(4'-benzyloxy-3'-methoxyphenyl)-2-(4''-formyl-2'''-methoxyphenoxy)propane-1,3-diol 3-Chlorobenzoic acid [(1S,2R)-3-benzoyloxy-2-(4-formyl-2-methoxyphenoxy)-1-(3-methoxy-4-phenylmethoxyphenyl)propyl] ester [(1S,2R)-3-benzoyloxy-2-(4-formyl-2-methoxyphenoxy)-1-(3-methoxy-4-phenylmethoxyphenyl)propyl] 3-chlorobenzoate [(1S,2R)-3-benzoyloxy-1-(4-benzyloxy-3-methoxy-phenyl)-2-(4-formyl-2-methoxy-phenoxy)propyl] 3-chlorobenzoate [(1S,2R)-2-(4-methanoyl-2-methoxy-phenoxy)-1-(3-methoxy-4-phenylmethoxy-phenyl)-3-(phenylcarbonyloxy)propyl] 3-chloranylbenzoate
Wiley ID 1548588