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#9I;3-BENZOXYCARBONYLAMINOPROPYL-ALPHA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-2-DEOXY-2-(1-DEOXY-1-AZIDO-BETA-L-GALACTOHEXOPYRANOSYLURONAMIDE
SpectraBase Compound ID BS24lQ2LsAY
InChI InChI=1S/C35H53N5O22/c36-40-39-31-24(50)22(48)23(49)29(60-31)30(53)38-17-20(46)27(16(11-43)59-32(17)55-8-4-7-37-35(54)56-12-13-5-2-1-3-6-13)61-34-26(52)28(19(45)15(10-42)58-34)62-33-25(51)21(47)18(44)14(9-41)57-33/h1-3,5-6,14-29,31-34,41-52H,4,7-12H2,(H,37,54)(H,38,53)/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23-,24-,25-,26-,27-,28+,29+,31-,32-,33-,34+/m1/s1
InChIKey BGWFZBDDZCZCNI-RQYFWFTJSA-N
Mol Weight 895.8 g/mol
Molecular Formula C35H53N5O22
Exact Mass 895.318218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5DW2YcLUe0K
Name #9I;3-BENZOXYCARBONYLAMINOPROPYL-ALPHA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-2-DEOXY-2-(1-DEOXY-1-AZIDO-BETA-L-GALACTOHEXOPYRANOSYLURONAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H53N5O22
InChI InChI=1S/C35H53N5O22/c36-40-39-31-24(50)22(48)23(49)29(60-31)30(53)38-17-20(46)27(16(11-43)59-32(17)55-8-4-7-37-35(54)56-12-13-5-2-1-3-6-13)61-34-26(52)28(19(45)15(10-42)58-34)62-33-25(51)21(47)18(44)14(9-41)57-33/h1-3,5-6,14-29,31-34,41-52H,4,7-12H2,(H,37,54)(H,38,53)/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23-,24-,25-,26-,27-,28+,29+,31-,32-,33-,34+/m1/s1
InChIKey BGWFZBDDZCZCNI-RQYFWFTJSA-N
Literature Reference Author O.SCHWARDT,G.BAISCH,R.OEHRLEIN
Literature Reference Citation BIOORG.MED.CHEM.,9,1857(2001)
Literature Reference DOI 10.1016/S0968-0896(01)00086-4
Molecular Weight 895.826 g/mol
Solvent D2O
Source File Reference UWMS22020