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VRAICBAQCGHRTB-FMKMJWCZSA-N

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VRAICBAQCGHRTB-FMKMJWCZSA-N
SpectraBase Compound ID JEedVh6TKCZ
InChI InChI=1S/C23H30N2O8S/c1-11(5-20-24-8-18(32-20)19-7-15(10-34-19)25(29)30)4-16-22(28)21(27)14(9-31-16)6-17-23(33-17)12(2)13(3)26/h5,7-8,10,12-14,16-17,21-23,26-28H,4,6,9H2,1-3H3/b11-5+/t12-,13+,14-,16-,17+,21+,22-,23-/m1/s1
InChIKey VRAICBAQCGHRTB-FMKMJWCZSA-N
Mol Weight 494.56 g/mol
Molecular Formula C23H30N2O8S
Exact Mass 494.172287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GA85jyOnSvB
Name VRAICBAQCGHRTB-FMKMJWCZSA-N
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H30N2O8S
InChI InChI=1S/C23H30N2O8S/c1-11(5-20-24-8-18(32-20)19-7-15(10-34-19)25(29)30)4-16-22(28)21(27)14(9-31-16)6-17-23(33-17)12(2)13(3)26/h5,7-8,10,12-14,16-17,21-23,26-28H,4,6,9H2,1-3H3/b11-5+/t12-,13+,14-,16-,17+,21+,22-,23-/m1/s1
InChIKey VRAICBAQCGHRTB-FMKMJWCZSA-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 494.560 g/mol
Solvent CD3OD
Source File Reference UWCS24614