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(threo)-1-O-(o-Chlorobenzoyl)-3-O-benzoyl-1-[4'-(benzyloxy)-3'-methoxyphenyl]-1,2,3-propanetriol
SpectraBase Compound ID 57wofNeadTu
InChI InChI=1S/C31H27ClO7/c1-36-28-18-23(15-16-27(28)37-19-21-9-4-2-5-10-21)29(39-31(35)24-13-8-14-25(32)17-24)26(33)20-38-30(34)22-11-6-3-7-12-22/h2-18,26,29,33H,19-20H2,1H3/t26-,29+/m1/s1
InChIKey LWHWSMOFODECMG-UHSQPCAPSA-N
Mol Weight 547.0 g/mol
Molecular Formula C31H27ClO7
Exact Mass 546.144531 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7uuj7og55pu
Name (threo)-1-O-(o-Chlorobenzoyl)-3-O-benzoyl-1-[4'-(benzyloxy)-3'-methoxyphenyl]-1,2,3-propanetriol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H27ClO7
InChI InChI=1S/C31H27ClO7/c1-36-28-18-23(15-16-27(28)37-19-21-9-4-2-5-10-21)29(39-31(35)24-13-8-14-25(32)17-24)26(33)20-38-30(34)22-11-6-3-7-12-22/h2-18,26,29,33H,19-20H2,1H3/t26-,29+/m1/s1
InChIKey LWHWSMOFODECMG-UHSQPCAPSA-N
Molecular Weight 547.003 g/mol
SMILES O[C@@]([C@@](OC(c1cc(Cl)ccc1)=O)(c1cc(OC)c(cc1)OCc1ccccc1)[H])(COC(=O)c1ccccc1)[H]
SPLASH splash10-052f-8900000000-6f3e5d864709a9a1b321
Source of Spectrum SK-32-561-6
Synonyms (threo)-1-O-(m-Chlorobenzoyl)-3-O-benzoyl-1-[4'-(benzyloxy)-3'-methoxyphenyl]-1,2,3-propanetriol (threo)-2-[(3''-Chlorobenzoyl)oxy]-3-(benzoyloxy)-1-(4'-benzyloxy-3'-methoxyphenyl)-1,2,3-propanetriol (threo)-2-[(3''-Chlorobenzoyl)oxy]-3-(benzoyloxy)-1-(4'-benzyloxy-3'-methoxyphenyl)-1,2,3-propanetriol 3-Chlorobenzoic acid [(1S,2R)-3-benzoyloxy-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)propyl] ester [(1S,2R)-3-benzoyloxy-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)propyl] 3-chlorobenzoate [(1S,2R)-3-benzoyloxy-1-(4-benzyloxy-3-methoxy-phenyl)-2-hydroxy-propyl] 3-chlorobenzoate [(1S,2R)-1-(3-methoxy-4-phenylmethoxy-phenyl)-2-oxidanyl-3-(phenylcarbonyloxy)propyl] 3-chloranylbenzoate
Wiley ID 1548589