![N-[(9H-FLUOREN-9-YL)-METHOXYCARBONYL]-3-O-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-L-ALLO-THREONINE](/api/spectrum/LhrM1kE3lSR/structure.png?h=300&w=458 "N-[(9H-FLUOREN-9-YL)-METHOXYCARBONYL]-3-O-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-L-ALLO-THREONINE")
| SpectraBase Compound ID | JmmVRWKpZbl |
|---|---|
| InChI | InChI=1S/C33H38N2O13/c1-16(27(31(40)41)35-33(42)44-14-25-23-12-8-6-10-21(23)22-11-7-9-13-24(22)25)45-32-28(34-17(2)36)30(47-20(5)39)29(46-19(4)38)26(48-32)15-43-18(3)37/h6-13,16,25-30,32H,14-15H2,1-5H3,(H,34,36)(H,35,42)(H,40,41)/t16-,26+,27-,28+,29-,30+,32-/m0/s1 |
| InChIKey | OXLCJWGAUPPZQJ-HAGOZSQDSA-N |
| Mol Weight | 670.7 g/mol |
| Molecular Formula | C33H38N2O13 |
| Exact Mass | 670.237389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhrM1kE3lSR |
|---|---|
| Name | N-[(9H-FLUOREN-9-YL)-METHOXYCARBONYL]-3-O-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-L-ALLO-THREONINE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H38N2O13 |
| InChI | InChI=1S/C33H38N2O13/c1-16(27(31(40)41)35-33(42)44-14-25-23-12-8-6-10-21(23)22-11-7-9-13-24(22)25)45-32-28(34-17(2)36)30(47-20(5)39)29(46-19(4)38)26(48-32)15-43-18(3)37/h6-13,16,25-30,32H,14-15H2,1-5H3,(H,34,36)(H,35,42)(H,40,41)/t16-,26+,27-,28+,29-,30+,32-/m0/s1 |
| InChIKey | OXLCJWGAUPPZQJ-HAGOZSQDSA-N |
| Literature Reference Author | L.NAGEL,C.BUDKE,A.DREYER,T.KOOP,N.SEWALD |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,1657(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.190 |
| Molecular Weight | 670.670 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR11256 |