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8-METHOXYCARBONYLOCTYL-4-O-(ALPHA-L-FUCOPYRANOSYL)-3-O-(BETA-D-GALACTOPYRANOSYL)-2-N-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE;LEWIS-A-TRISACCHARIDE
SpectraBase Compound ID IPSWbG1sOI7
InChI InChI=1S/C30H53NO17/c1-14-20(36)22(38)24(40)29(44-14)47-26-17(13-33)46-28(43-11-9-7-5-4-6-8-10-18(35)42-3)19(31-15(2)34)27(26)48-30-25(41)23(39)21(37)16(12-32)45-30/h14,16-17,19-30,32-33,36-41H,4-13H2,1-3H3,(H,31,34)/t14-,16+,17-,19-,20+,21-,22+,23-,24-,25+,26-,27-,28-,29+,30-/m0/s1
InChIKey RAWIMSUPKCBBKH-LRDWIFTASA-N
Mol Weight 699.7 g/mol
Molecular Formula C30H53NO17
Exact Mass 699.331349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 54iGPnBKVJc
Name 8-METHOXYCARBONYLOCTYL-4-O-(ALPHA-L-FUCOPYRANOSYL)-3-O-(BETA-D-GALACTOPYRANOSYL)-2-N-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE;LEWIS-A-TRISACCHARIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H53NO17
InChI InChI=1S/C30H53NO17/c1-14-20(36)22(38)24(40)29(44-14)47-26-17(13-33)46-28(43-11-9-7-5-4-6-8-10-18(35)42-3)19(31-15(2)34)27(26)48-30-25(41)23(39)21(37)16(12-32)45-30/h14,16-17,19-30,32-33,36-41H,4-13H2,1-3H3,(H,31,34)/t14-,16+,17-,19-,20+,21-,22+,23-,24-,25+,26-,27-,28-,29+,30-/m0/s1
InChIKey RAWIMSUPKCBBKH-LRDWIFTASA-N
Literature Reference Author R.U.LEMIEUX,K.BOCK,L.T.J.DELBAERE,S.KOTO,V.S.RAO
Literature Reference Citation CAN.J.CHEM.,58,631(1980)
Literature Reference DOI 10.1139/v80-098
Molecular Weight 699.747 g/mol
Solvent D2O
Source File Reference UWCS8543