| SpectraBase Compound ID | 8mEzU3UGAid |
|---|---|
| InChI | InChI=1S/C21H40N4O12S2/c1-38-39-5-10(27)25-7-2-6(23)18(36-21-16(32)15(31)13(29)8(3-22)34-21)17(33)19(7)37-20-14(30)11(24)12(28)9(4-26)35-20/h6-9,11-21,26,28-33H,2-5,22-24H2,1H3,(H,25,27)/t6-,7+,8-,9-,11+,12-,13-,14-,15+,16-,17-,18+,19-,20-,21-/m0/s1 |
| InChIKey | JTCLHAOGFPGSFG-WLMZPURDSA-N |
| Mol Weight | 604.7 g/mol |
| Molecular Formula | C21H40N4O12S2 |
| Exact Mass | 604.208415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ueIMFnuOzn |
|---|---|
| Name | AMIKACIN-PRO-HAPTEN;1-N-METHYLDITHIOACETYL-KANAMYCIN-A |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H40N4O12S2 |
| InChI | InChI=1S/C21H40N4O12S2/c1-38-39-5-10(27)25-7-2-6(23)18(36-21-16(32)15(31)13(29)8(3-22)34-21)17(33)19(7)37-20-14(30)11(24)12(28)9(4-26)35-20/h6-9,11-21,26,28-33H,2-5,22-24H2,1H3,(H,25,27)/t6-,7+,8-,9-,11+,12-,13-,14-,15+,16-,17-,18+,19-,20-,21-/m0/s1 |
| InChIKey | JTCLHAOGFPGSFG-WLMZPURDSA-N |
| Literature Reference Author | P.SINGH,M.PIRIO,D.K.LEUNG,Y.G.TSAY |
| Literature Reference Citation | CAN.J.CHEM.,62,2471(1984) |
| Literature Reference DOI | 10.1139/v84-425 |
| Molecular Weight | 604.688 g/mol |
| Solvent | D2O;PH=<4.0 |
| Source File Reference | UWCS6528 |