![METHYL-[ISOPROPYL-4-O-(2-AZIDO-3,6-DI-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)-3-O-BENZYL-2-O-PIVALOYL-BETA-L-IDOPYRANOSYL]-URONATE](/api/spectrum/uVSFpKmyTt/structure.png?h=300&w=458 "METHYL-[ISOPROPYL-4-O-(2-AZIDO-3,6-DI-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)-3-O-BENZYL-2-O-PIVALOYL-BETA-L-IDOPYRANOSYL]-URONATE")
| SpectraBase Compound ID | 99qtPae6oVE |
|---|---|
| InChI | InChI=1S/C42H53N3O12/c1-26(2)53-40-37(57-41(48)42(3,4)5)34(52-24-29-20-14-9-15-21-29)35(36(56-40)38(47)49-6)55-39-31(44-45-43)33(51-23-28-18-12-8-13-19-28)32(46)30(54-39)25-50-22-27-16-10-7-11-17-27/h7-21,26,30-37,39-40,46H,22-25H2,1-6H3/t30-,31-,32-,33-,34+,35+,36-,37-,39-,40-/m1/s1 |
| InChIKey | DKCIJZBOWZXTKW-AMQXYWDTSA-N |
| Mol Weight | 791.9 g/mol |
| Molecular Formula | C42H53N3O12 |
| Exact Mass | 791.362924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | uVSFpKmyTt |
|---|---|
| Name | METHYL-[ISOPROPYL-4-O-(2-AZIDO-3,6-DI-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)-3-O-BENZYL-2-O-PIVALOYL-BETA-L-IDOPYRANOSYL]-URONATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H53N3O12 |
| InChI | InChI=1S/C42H53N3O12/c1-26(2)53-40-37(57-41(48)42(3,4)5)34(52-24-29-20-14-9-15-21-29)35(36(56-40)38(47)49-6)55-39-31(44-45-43)33(51-23-28-18-12-8-13-19-28)32(46)30(54-39)25-50-22-27-16-10-7-11-17-27/h7-21,26,30-37,39-40,46H,22-25H2,1-6H3/t30-,31-,32-,33-,34+,35+,36-,37-,39-,40-/m1/s1 |
| InChIKey | DKCIJZBOWZXTKW-AMQXYWDTSA-N |
| Literature Reference Author | R.OJEDA,J.ANGULO,P.M.NIETO,M.MARTIN-LOMAS |
| Literature Reference Citation | CAN.J.CHEM.,80,917(2002) |
| Literature Reference DOI | 10.1139/v02-023 |
| Molecular Weight | 791.896 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29948 |