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N(1),N(12)-BIS-[3-O-BENZYL-5-DEOXY-1,2-O-ISOPROPYLIDENE-ALPHA-D-XYLOFURANOS-5-YL]-1,12-DIAMINODODECANE
SpectraBase Compound ID 4GwQN6Pmo0T
InChI InChI=1S/C42H64N2O8/c1-41(2)49-37-35(45-29-31-21-15-13-16-22-31)33(47-39(37)51-41)27-43-25-19-11-9-7-5-6-8-10-12-20-26-44-28-34-36(46-30-32-23-17-14-18-24-32)38-40(48-34)52-42(3,4)50-38/h13-18,21-24,33-40,43-44H,5-12,19-20,25-30H2,1-4H3/t33-,34+,35+,36-,37-,38+,39-,40+
InChIKey PGQIKSNPSNFOPG-ZETLKHNJSA-N
Mol Weight 725.0 g/mol
Molecular Formula C42H64N2O8
Exact Mass 724.466267 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ftmstrHeOD
Name N(1),N(12)-BIS-[3-O-BENZYL-5-DEOXY-1,2-O-ISOPROPYLIDENE-ALPHA-D-XYLOFURANOS-5-YL]-1,12-DIAMINODODECANE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H64N2O8
InChI InChI=1S/C42H64N2O8/c1-41(2)49-37-35(45-29-31-21-15-13-16-22-31)33(47-39(37)51-41)27-43-25-19-11-9-7-5-6-8-10-12-20-26-44-28-34-36(46-30-32-23-17-14-18-24-32)38-40(48-34)52-42(3,4)50-38/h13-18,21-24,33-40,43-44H,5-12,19-20,25-30H2,1-4H3/t33-,34+,35+,36-,37-,38+,39-,40+
InChIKey PGQIKSNPSNFOPG-ZETLKHNJSA-N
Literature Reference Author V.K.TIWARI,N.TEWARI,D.KATIYAR,R.P.TRIPATHI,K.ARORA,S.GUPTA,R .AHMAD,A.K.SRIVASTAV
Literature Reference Citation BIOORG.MED.CHEM.,11,1789(2003)
Literature Reference DOI 10.1016/S0968-0896(03)00033-6
Molecular Weight 724.979 g/mol
Sample ID 29136
Solvent CDCl3