| SpectraBase Compound ID | 9x2NDOUY0Jw |
|---|---|
| InChI | InChI=1S/C53H57N15O9/c54-64-59-28-44-43(70-30-36-18-8-2-9-19-36)27-42(62-67-57)52(74-44)76-47-40(60-65-55)26-41(61-66-56)48(51(47)73-33-39-24-14-5-15-25-39)77-53-50(72-32-38-22-12-4-13-23-38)46(63-68-58)49(71-31-37-20-10-3-11-21-37)45(75-53)34-69-29-35-16-6-1-7-17-35/h1-25,40-53H,26-34H2/t40-,41+,42+,43-,44+,45-,46+,47+,48-,49-,50-,51-,52+,53-/m0/s1 |
| InChIKey | KGVBICHVLWYGRY-BGRXIFFTSA-N |
| Mol Weight | 1048.1 g/mol |
| Molecular Formula | C53H57N15O9 |
| Exact Mass | 1047.446368 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Hd5svgceT2 |
|---|---|
| Name | PENTAAZIDO-PENTA-O-BENZYL-TOBRAMYCIN |
| Compound Number | 11A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H57N15O9 |
| InChI | InChI=1S/C53H57N15O9/c54-64-59-28-44-43(70-30-36-18-8-2-9-19-36)27-42(62-67-57)52(74-44)76-47-40(60-65-55)26-41(61-66-56)48(51(47)73-33-39-24-14-5-15-25-39)77-53-50(72-32-38-22-12-4-13-23-38)46(63-68-58)49(71-31-37-20-10-3-11-21-37)45(75-53)34-69-29-35-16-6-1-7-17-35/h1-25,40-53H,26-34H2/t40-,41+,42+,43-,44+,45-,46+,47+,48-,49-,50-,51-,52+,53-/m0/s1 |
| InChIKey | KGVBICHVLWYGRY-BGRXIFFTSA-N |
| Literature Reference Author | P.T.NYFFELER,C.H.LIANG,K.M.KOELLER,C.H.WONG |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,10773(2002) |
| Literature Reference DOI | 10.1021/ja0264605 |
| Molecular Weight | 1048.131 g/mol |
| Sample ID | 34869 |
| Solvent | CDCl3 |