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O-[4-DEOXY-4-(2,3-EPOXY-3-HYDROXYMETHYL-4,5,6-TRIHYDROXYCYCLOHEXANE-1-YL-AMINO)-ALPHA-D-GLUCOPYRANOSYL]-(1->4)-O-ALPHA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-D-GLUCOPYR
SpectraBase Compound ID 1MQEr3P2ibr
InChI InChI=1S/C37H63NO30/c39-1-7-12(38-13-15(46)20(51)30(57)37(6-44)31(13)68-37)14(45)22(53)33(60-7)65-27-9(3-41)62-35(24(55)17(27)48)67-29-11(5-43)63-36(25(56)19(29)50)66-28-10(4-42)61-34(23(54)18(28)49)64-26-8(2-40)59-32(58)21(52)16(26)47/h7-36,38-58H,1-6H2/t7-,8+,9-,10+,11-,12-,13-,14+,15+,16+,17-,18+,19-,20-,21+,22-,23+,24-,25-,26+,27-,28+,29-,30+,31-,32+,33-,34+,35-,36-,37+/m1/s1
InChIKey JGIZCJAHDIYHDR-AVCDMURHSA-N
Mol Weight 1001.9 g/mol
Molecular Formula C37H63NO30
Exact Mass 1001.34349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1WYqWjKrHtJ
Name O-[4-DEOXY-4-(2,3-EPOXY-3-HYDROXYMETHYL-4,5,6-TRIHYDROXYCYCLOHEXANE-1-YL-AMINO)-ALPHA-D-GLUCOPYRANOSYL]-(1->4)-O-ALPHA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-D-GLUCOPYR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H63NO30
InChI InChI=1S/C37H63NO30/c39-1-7-12(38-13-15(46)20(51)30(57)37(6-44)31(13)68-37)14(45)22(53)33(60-7)65-27-9(3-41)62-35(24(55)17(27)48)67-29-11(5-43)63-36(25(56)19(29)50)66-28-10(4-42)61-34(23(54)18(28)49)64-26-8(2-40)59-32(58)21(52)16(26)47/h7-36,38-58H,1-6H2/t7-,8+,9-,10+,11-,12-,13-,14+,15+,16+,17-,18+,19-,20-,21+,22-,23+,24-,25-,26+,27-,28+,29-,30+,31-,32+,33-,34+,35-,36-,37+/m1/s1
InChIKey JGIZCJAHDIYHDR-AVCDMURHSA-N
Literature Reference Author H.B.CHANG,S.H.KIM,Y.I.KWON,D.H.CHOUNG,W.K.CHOI,T.W.KANG,S.LE E,J.G.KIM,H.S.CHUN,S
Literature Reference Citation J.ANTIBIOTICS,55,467(2002)
Literature Reference DOI 10.7164/antibiotics.55.467
Molecular Weight 1001.896 g/mol
Solvent D2O
Source File Reference UWSI6173