![TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PROLINATE](/api/spectrum/HMUbXsyVL0j/structure.png?h=300&w=458 "TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PROLINATE")
| SpectraBase Compound ID | FyYAWMlvCKQ |
|---|---|
| InChI | InChI=1S/C47H56N2O10/c1-47(2,3)59-46(53)37-25-16-26-49(37)45(52)38(50)27-40(51)48-44-43(57-31-36-23-14-7-15-24-36)42(56-30-35-21-12-6-13-22-35)41(55-29-34-19-10-5-11-20-34)39(58-44)32-54-28-33-17-8-4-9-18-33/h4-15,17-24,37-39,41-44,50H,16,25-32H2,1-3H3,(H,48,51)/t37?,38-,39-,41-,42+,43-,44-/m1/s1 |
| InChIKey | SEIMTJYZUHTOOI-HIKGJJNESA-N |
| Mol Weight | 809.0 g/mol |
| Molecular Formula | C47H56N2O10 |
| Exact Mass | 808.393496 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HMUbXsyVL0j |
|---|---|
| Name | TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PROLINATE |
| Compound Number | 9C/2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H56N2O10 |
| InChI | InChI=1S/C47H56N2O10/c1-47(2,3)59-46(53)37-25-16-26-49(37)45(52)38(50)27-40(51)48-44-43(57-31-36-23-14-7-15-24-36)42(56-30-35-21-12-6-13-22-35)41(55-29-34-19-10-5-11-20-34)39(58-44)32-54-28-33-17-8-4-9-18-33/h4-15,17-24,37-39,41-44,50H,16,25-32H2,1-3H3,(H,48,51)/t37?,38-,39-,41-,42+,43-,44-/m1/s1 |
| InChIKey | SEIMTJYZUHTOOI-HIKGJJNESA-N |
| Literature Reference Author | C.BOETTCHER,J.SPENGLER,K.BURGER |
| Literature Reference Citation | MH.CHEM.,135,1225(2004) |
| Literature Reference DOI | 10.1007/s00706-004-0187-5 |
| Molecular Weight | 808.969 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ11935 |