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5-[(BENZOYLOXYCARBONYL)-AMINO]-PENTYL-2,4,6-TRI-O-BENZOYL-3-O-(BrOMOACETYL)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 5z4tkQMVcf6
InChI InChI=1S/C42H42BrNO12/c43-26-34(45)54-36-35(55-39(47)31-20-10-3-11-21-31)33(28-51-38(46)30-18-8-2-9-19-30)53-41(37(36)56-40(48)32-22-12-4-13-23-32)50-25-15-5-14-24-44-42(49)52-27-29-16-6-1-7-17-29/h1-4,6-13,16-23,33,35-37,41H,5,14-15,24-28H2,(H,44,49)/t33-,35-,36+,37-,41-/m0/s1
InChIKey BVTQUNQEMOQXFO-QSNVKYSUSA-N
Mol Weight 832.7 g/mol
Molecular Formula C42H42BrNO12
Exact Mass 831.189039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EydgIyhjgsK
Name 5-[(BENZOYLOXYCARBONYL)-AMINO]-PENTYL-2,4,6-TRI-O-BENZOYL-3-O-(BrOMOACETYL)-BETA-D-GLUCOPYRANOSIDE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H42BrNO12
InChI InChI=1S/C42H42BrNO12/c43-26-34(45)54-36-35(55-39(47)31-20-10-3-11-21-31)33(28-51-38(46)30-18-8-2-9-19-30)53-41(37(36)56-40(48)32-22-12-4-13-23-32)50-25-15-5-14-24-44-42(49)52-27-29-16-6-1-7-17-29/h1-4,6-13,16-23,33,35-37,41H,5,14-15,24-28H2,(H,44,49)/t33-,35-,36+,37-,41-/m0/s1
InChIKey BVTQUNQEMOQXFO-QSNVKYSUSA-N
Literature Reference Author T.ZIEGLER,E.ECKHARDT,V.BIRAULT
Literature Reference Citation J.ORG.CHEM.,58,1090(1993)
Literature Reference DOI 10.1021/jo00057a021
Molecular Weight 832.699 g/mol
Solvent CDCl3
Source File Reference UWCS20210