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(5S,5S)-N(1),N(12)-BIS-[3-O-BENZYL-5-CARBETHOXYMETHYL-5-DEOXY-1,2-O-ISOPROPYLIDENE-ALPHA-D-XYLOFURANOS-5-YL]-1,12-DIAMINODODECANE
SpectraBase Compound ID 3rUj0uzUv0c
InChI InChI=1S/C50H76N2O12/c1-7-55-39(53)31-37(41-43(57-33-35-25-19-17-20-26-35)45-47(59-41)63-49(3,4)61-45)51-29-23-15-13-11-9-10-12-14-16-24-30-52-38(32-40(54)56-8-2)42-44(58-34-36-27-21-18-22-28-36)46-48(60-42)64-50(5,6)62-46/h17-22,25-28,37-38,41-48,51-52H,7-16,23-24,29-34H2,1-6H3/t37-,38-,41-,42+,43+,44-,45-,46+,47-,48+/m0/s1
InChIKey OSDYWDMFDZZUEY-JUPDQJLISA-N
Mol Weight 897.2 g/mol
Molecular Formula C50H76N2O12
Exact Mass 896.539826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2d5KfGQwMvb
Name (5S,5S)-N(1),N(12)-BIS-[3-O-BENZYL-5-CARBETHOXYMETHYL-5-DEOXY-1,2-O-ISOPROPYLIDENE-ALPHA-D-XYLOFURANOS-5-YL]-1,12-DIAMINODODECANE
Compound Number 18B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H76N2O12
InChI InChI=1S/C50H76N2O12/c1-7-55-39(53)31-37(41-43(57-33-35-25-19-17-20-26-35)45-47(59-41)63-49(3,4)61-45)51-29-23-15-13-11-9-10-12-14-16-24-30-52-38(32-40(54)56-8-2)42-44(58-34-36-27-21-18-22-28-36)46-48(60-42)64-50(5,6)62-46/h17-22,25-28,37-38,41-48,51-52H,7-16,23-24,29-34H2,1-6H3/t37-,38-,41-,42+,43+,44-,45-,46+,47-,48+/m0/s1
InChIKey OSDYWDMFDZZUEY-JUPDQJLISA-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 897.160 g/mol
Sample ID 29142
Solvent CDCl3