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8-METHOXYCARBONYLOCTYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2-DEOXY-2-(1-DEOXY-1-AZIDO-BETA-D-GLUCOHEXOPYRANOSYLURONAMIDE)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID JmUu4kXBaaZ
InChI InChI=1S/C28H48N4O17/c1-44-14(35)8-6-4-2-3-5-7-9-45-27-15(30-25(43)24-20(40)19(39)21(41)26(48-24)31-32-29)17(37)23(13(11-34)47-27)49-28-22(42)18(38)16(36)12(10-33)46-28/h12-13,15-24,26-28,33-34,36-42H,2-11H2,1H3,(H,30,43)/t12-,13-,15-,16+,17-,18+,19-,20-,21+,22-,23-,24-,26+,27-,28+/m1/s1
InChIKey VKWRUNSDJGSRFX-BWGHSQQOSA-N
Mol Weight 712.7 g/mol
Molecular Formula C28H48N4O17
Exact Mass 712.301446 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38RRsLHetuu
Name 8-METHOXYCARBONYLOCTYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2-DEOXY-2-(1-DEOXY-1-AZIDO-BETA-D-GLUCOHEXOPYRANOSYLURONAMIDE)-BETA-D-GLUCOPYRANOSIDE
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H48N4O17
InChI InChI=1S/C28H48N4O17/c1-44-14(35)8-6-4-2-3-5-7-9-45-27-15(30-25(43)24-20(40)19(39)21(41)26(48-24)31-32-29)17(37)23(13(11-34)47-27)49-28-22(42)18(38)16(36)12(10-33)46-28/h12-13,15-24,26-28,33-34,36-42H,2-11H2,1H3,(H,30,43)/t12-,13-,15-,16+,17-,18+,19-,20-,21+,22-,23-,24-,26+,27-,28+/m1/s1
InChIKey VKWRUNSDJGSRFX-BWGHSQQOSA-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 712.706 g/mol
Solvent D2O
Source File Reference UWMS21996