![TERT.-BUTYL_N-{2-OXO-2-[(3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-AMINO]-ETHYL}-GLYCYLSARCOSINATE;MAJOR_ISOMER](/api/spectrum/8pec9sHhoZc/structure.png?h=300&w=458 "TERT.-BUTYL_N-{2-OXO-2-[(3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-AMINO]-ETHYL}-GLYCYLSARCOSINATE;MAJOR_ISOMER")
| SpectraBase Compound ID | KERrReYJ59K |
|---|---|
| InChI | InChI=1S/C25H40N4O12/c1-13(30)27-21-23(39-16(4)33)22(38-15(3)32)17(12-37-14(2)31)40-24(21)28-18(34)9-26-10-19(35)29(8)11-20(36)41-25(5,6)7/h17,21-24,26H,9-12H2,1-8H3,(H,27,30)(H,28,34)/t17-,21-,22-,23-,24-/m1/s1 |
| InChIKey | XQNXUIQJOIEWQM-WTZFPKOTSA-N |
| Mol Weight | 588.6 g/mol |
| Molecular Formula | C25H40N4O12 |
| Exact Mass | 588.264273 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pec9sHhoZc |
|---|---|
| Name | TERT.-BUTYL_N-{2-OXO-2-[(3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-AMINO]-ETHYL}-GLYCYLSARCOSINATE;MAJOR_ISOMER |
| Compound Number | 5B/2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H40N4O12 |
| InChI | InChI=1S/C25H40N4O12/c1-13(30)27-21-23(39-16(4)33)22(38-15(3)32)17(12-37-14(2)31)40-24(21)28-18(34)9-26-10-19(35)29(8)11-20(36)41-25(5,6)7/h17,21-24,26H,9-12H2,1-8H3,(H,27,30)(H,28,34)/t17-,21-,22-,23-,24-/m1/s1 |
| InChIKey | XQNXUIQJOIEWQM-WTZFPKOTSA-N |
| Literature Reference Author | K.BURGER,C.BOETTCHER,L.HENNIG,S.A.ESSAWY |
| Literature Reference Citation | MH.CHEM.,135,865(2004) |
| Molecular Weight | 588.612 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ12022 |