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IHRFGVIFKDMCNU-MDWOAMDMSA-N
SpectraBase Compound ID DDuUz7CJtaX
InChI InChI=1S/C23H32N2O9S/c1-11(5-20(28)24-8-16(27)19-7-15(10-35-19)25(31)32)4-17-22(30)21(29)14(9-33-17)6-18-23(34-18)12(2)13(3)26/h5,7,10,12-14,17-18,21-23,26,29-30H,4,6,8-9H2,1-3H3,(H,24,28)/b11-5+/t12-,13+,14-,17-,18+,21+,22-,23-/m1/s1
InChIKey IHRFGVIFKDMCNU-MDWOAMDMSA-N
Mol Weight 512.6 g/mol
Molecular Formula C23H32N2O9S
Exact Mass 512.182852 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8SdKSWJWskX
Name IHRFGVIFKDMCNU-MDWOAMDMSA-N
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H32N2O9S
InChI InChI=1S/C23H32N2O9S/c1-11(5-20(28)24-8-16(27)19-7-15(10-35-19)25(31)32)4-17-22(30)21(29)14(9-33-17)6-18-23(34-18)12(2)13(3)26/h5,7,10,12-14,17-18,21-23,26,29-30H,4,6,8-9H2,1-3H3,(H,24,28)/b11-5+/t12-,13+,14-,17-,18+,21+,22-,23-/m1/s1
InChIKey IHRFGVIFKDMCNU-MDWOAMDMSA-N
Literature Reference Author N.J.P.BROOM,J.S.ELDER,P.C.T.HANNAN,J.E.PONS,P.J.O'HANLON,G.W ALKER,J.WILSON,P.WOO
Literature Reference Citation J.ANTIBIOTICS,48,1336(1995)
Literature Reference DOI 10.7164/antibiotics.48.1336
Molecular Weight 512.575 g/mol
Solvent CD3OD
Source File Reference UWCS24628