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O-[2-O-(6-Heptenoyl)-3,5,6-tri-O-benzyl-D-glucopyranosyl]trichloroacetimidate
SpectraBase Compound ID IRQr4RsgOO
InChI InChI=1S/C36H40Cl3NO7/c1-2-3-4-14-21-30(41)46-33-32(44-24-28-19-12-7-13-20-28)31(43-23-27-17-10-6-11-18-27)29(25-42-22-26-15-8-5-9-16-26)45-34(33)47-35(40)36(37,38)39/h2,5-13,15-20,29,31-34,40H,1,3-4,14,21-25H2/t29-,31-,32?,33-,34+/m1/s1
InChIKey JJXXLNJVVPFQLI-ZRAVQANWSA-N
Mol Weight 705.1 g/mol
Molecular Formula C36H40Cl3NO7
Exact Mass 703.187036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIQYC93McwF
Name O-[2-O-(6-Heptenoyl)-3,5,6-tri-O-benzyl-D-glucopyranosyl]trichloroacetimidate
Alternate Name(s) 3,4,6-tri-O-benzyl-2-O-(6-heptenoyl)-1-O-(2,2,2-trichloroethanimidoyl)hexopyranose O-[2-O-(6-Heptenoyl)-4,5,6-tri-O-benzyl-D-glucopyranosyl]trichloroacetimidate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H40Cl3NO7
InChI InChI=1S/C36H40Cl3NO7/c1-2-3-4-14-21-30(41)46-33-32(44-24-28-19-12-7-13-20-28)31(43-23-27-17-10-6-11-18-27)29(25-42-22-26-15-8-5-9-16-26)45-34(33)47-35(40)36(37,38)39/h2,5-13,15-20,29,31-34,40H,1,3-4,14,21-25H2/t29-,31-,32?,33-,34+/m1/s1
InChIKey JJXXLNJVVPFQLI-ZRAVQANWSA-N
Molecular Weight 705.075 g/mol
SMILES N=C(O[C@]1([C@@](C([C@@]([C@@](COCc2ccccc2)(O1)[H])(OCc1ccccc1)[H])OCc1ccccc1)(OC(=O)CCCCC=C)[H])[H])C(Cl)(Cl)Cl
SPLASH splash10-0006-9000000000-9692b5daef6d3c993d72
Source of Spectrum QF-9-314-30
Wiley ID 1558172