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(5S,5S)-N(1),N(7)-BIS-[3-O-BENZYL-5-CARBETHOXYMETHYL-5-DEOXY-1,2-O-ISOPROPYLIDENE-BETA-L-IDO-1,4-PENTOFURANOSYL]-1,7-DIAMINOHEPTANE
SpectraBase Compound ID 2eh8E8u02Zy
InChI InChI=1S/C45H66N2O12/c1-7-50-34(48)26-32(36-38(52-28-30-20-14-12-15-21-30)40-42(54-36)58-44(3,4)56-40)46-24-18-10-9-11-19-25-47-33(27-35(49)51-8-2)37-39(53-29-31-22-16-13-17-23-31)41-43(55-37)59-45(5,6)57-41/h12-17,20-23,32-33,36-43,46-47H,7-11,18-19,24-29H2,1-6H3/t32-,33-,36-,37+,38+,39-,40-,41+,42-,43+/m0/s1
InChIKey IRXRPBGVAXADAU-JSZZMGPVSA-N
Mol Weight 827.0 g/mol
Molecular Formula C45H66N2O12
Exact Mass 826.461576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L8TeLwn95cE
Name (5S,5S)-N(1),N(7)-BIS-[3-O-BENZYL-5-CARBETHOXYMETHYL-5-DEOXY-1,2-O-ISOPROPYLIDENE-BETA-L-IDO-1,4-PENTOFURANOSYL]-1,7-DIAMINOHEPTANE
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H66N2O12
InChI InChI=1S/C45H66N2O12/c1-7-50-34(48)26-32(36-38(52-28-30-20-14-12-15-21-30)40-42(54-36)58-44(3,4)56-40)46-24-18-10-9-11-19-25-47-33(27-35(49)51-8-2)37-39(53-29-31-22-16-13-17-23-31)41-43(55-37)59-45(5,6)57-41/h12-17,20-23,32-33,36-43,46-47H,7-11,18-19,24-29H2,1-6H3/t32-,33-,36-,37+,38+,39-,40-,41+,42-,43+/m0/s1
InChIKey IRXRPBGVAXADAU-JSZZMGPVSA-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 827.025 g/mol
Sample ID 29141
Solvent CDCl3