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8-METHOXYCARBONYLOCTYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2-DEOXY-2-(METHYL-BETA-D-GALACTOHEXOPYRANOSYLURONAMIDE)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID LQ3uUonGoVM
InChI InChI=1S/C29H51NO18/c1-42-15(33)9-7-5-3-4-6-8-10-44-27-16(30-26(41)25-21(38)20(37)22(39)28(43-2)48-25)18(35)24(14(12-32)46-27)47-29-23(40)19(36)17(34)13(11-31)45-29/h13-14,16-25,27-29,31-32,34-40H,3-12H2,1-2H3,(H,30,41)/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23-,24-,25-,27-,28+,29+/m1/s1
InChIKey HHGQOZQKAPSGJJ-HSAPYZTFSA-N
Mol Weight 701.7 g/mol
Molecular Formula C29H51NO18
Exact Mass 701.310614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fw2nlz3NEvl
Name 8-METHOXYCARBONYLOCTYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2-DEOXY-2-(METHYL-BETA-D-GALACTOHEXOPYRANOSYLURONAMIDE)-BETA-D-GLUCOPYRANOSIDE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H51NO18
InChI InChI=1S/C29H51NO18/c1-42-15(33)9-7-5-3-4-6-8-10-44-27-16(30-26(41)25-21(38)20(37)22(39)28(43-2)48-25)18(35)24(14(12-32)46-27)47-29-23(40)19(36)17(34)13(11-31)45-29/h13-14,16-25,27-29,31-32,34-40H,3-12H2,1-2H3,(H,30,41)/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23-,24-,25-,27-,28+,29+/m1/s1
InChIKey HHGQOZQKAPSGJJ-HSAPYZTFSA-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 701.720 g/mol
Solvent CD3OD
Source File Reference UWMS21992