![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](/api/spectrum/1WYqWjKrHtJ/structure.png?h=300&w=458 "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
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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 |