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8-METHOXYCARBONYLOCTYL-3-O-[2-O-(ALPHA-L-FUCOPYRANOSYL)-3-O-(ALPHA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSYL]-2-N-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID RYFAtD6AKr
InChI InChI=1S/C36H63NO22/c1-15-22(43)26(47)28(49)34(53-15)59-32-31(58-35-29(50)27(48)23(44)17(12-38)55-35)25(46)19(14-40)56-36(32)57-30-21(37-16(2)41)33(54-18(13-39)24(30)45)52-11-9-7-5-4-6-8-10-20(42)51-3/h15,17-19,21-36,38-40,43-50H,4-14H2,1-3H3,(H,37,41)/t15-,17-,18-,19-,21-,22+,23+,24-,25+,26+,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+/m0/s1
InChIKey WFOARGDRZZVQKJ-YOADIMLNSA-N
Mol Weight 861.9 g/mol
Molecular Formula C36H63NO22
Exact Mass 861.384173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XeF36jVutB
Name 8-METHOXYCARBONYLOCTYL-3-O-[2-O-(ALPHA-L-FUCOPYRANOSYL)-3-O-(ALPHA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSYL]-2-N-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H63NO22
InChI InChI=1S/C36H63NO22/c1-15-22(43)26(47)28(49)34(53-15)59-32-31(58-35-29(50)27(48)23(44)17(12-38)55-35)25(46)19(14-40)56-36(32)57-30-21(37-16(2)41)33(54-18(13-39)24(30)45)52-11-9-7-5-4-6-8-10-20(42)51-3/h15,17-19,21-36,38-40,43-50H,4-14H2,1-3H3,(H,37,41)/t15-,17-,18-,19-,21-,22+,23+,24-,25+,26+,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+/m0/s1
InChIKey WFOARGDRZZVQKJ-YOADIMLNSA-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 861.890 g/mol
Solvent D2O
Source File Reference UWCS8549