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AMIKACIN-PRO-HAPTEN;1-N-METHYLDITHIOACETYL-KANAMYCIN-A
SpectraBase Compound ID HC3CRry2Es8
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+/m1/s1
InChIKey JTCLHAOGFPGSFG-PXWGMWMFSA-N
Mol Weight 604.7 g/mol
Molecular Formula C21H40N4O12S2
Exact Mass 604.208415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1fzRrwqCSlS
Name AMIKACIN-PRO-HAPTEN;1-N-METHYLDITHIOACETYL-KANAMYCIN-A
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+/m1/s1
InChIKey JTCLHAOGFPGSFG-PXWGMWMFSA-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>=11.0
Source File Reference UWCS6529