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ARAPLYSILLIN_N(9)-SULFAMATE
SpectraBase Compound ID IY7fTUeS57a
InChI InChI=1S/C21H23Br4N3O8S.Na/c1-34-18-14(24)9-21(19(29)16(18)25)10-15(28-36-21)20(30)26-4-2-6-35-17-12(22)7-11(8-13(17)23)3-5-27-37(31,32)33;/h7-9,19,27,29H,2-6,10H2,1H3,(H,26,30)(H,31,32,33);/q;+1/p-1/t19-,21+;/m0./s1
InChIKey SWDXEYXTKXVRKS-LZAGWAHOSA-M
Mol Weight 819.09 g/mol
Molecular Formula C21H22Br4N3NaO8S
Exact Mass 814.775882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9I0XgFTJltO
Name ARAPLYSILLIN_N(9)-SULFAMATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22Br4N3NaO8S
InChI InChI=1S/C21H23Br4N3O8S.Na/c1-34-18-14(24)9-21(19(29)16(18)25)10-15(28-36-21)20(30)26-4-2-6-35-17-12(22)7-11(8-13(17)23)3-5-27-37(31,32)33;/h7-9,19,27,29H,2-6,10H2,1H3,(H,26,30)(H,31,32,33);/q;+1/p-1/t19-,21+;/m0./s1
InChIKey SWDXEYXTKXVRKS-LZAGWAHOSA-M
Literature Reference Author E.W.ROGERS,T.F.MOLINSKI
Literature Reference Citation J.NAT.PROD.,70,1191(2007)
Literature Reference DOI 10.1021/np070109l
Molecular Weight 819.087 g/mol
Sample ID 30709
Solvent DMSO-D6