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2-(2,4,5,8-TETRAHYDROXY-7-OXA-2-AZABICYCLO-[3.2.1]-OCT-3-YL)-2-[(N-ACETYL)-TYROSYLAMINO]-ACETIC-ACID
SpectraBase Compound ID G2TS7rc3L4f
InChI InChI=1S/C19H25N3O10/c1-8(23)20-11(6-9-2-4-10(24)5-3-9)16(27)21-12(18(28)29)13-14(25)19(30)7-32-17(15(19)26)22(13)31/h2-5,11-15,17,24-26,30-31H,6-7H2,1H3,(H,20,23)(H,21,27)(H,28,29)/t11-,12?,13+,14-,15+,17-,19+/m0/s1
InChIKey RMPBTJXFBUPSJJ-WLLUZDSCSA-N
Mol Weight 455.42 g/mol
Molecular Formula C19H25N3O10
Exact Mass 455.153994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 58JkI3sjbXz
Name 2-(2,4,5,8-TETRAHYDROXY-7-OXA-2-AZABICYCLO-[3.2.1]-OCT-3-YL)-2-[(N-ACETYL)-TYROSYLAMINO]-ACETIC-ACID
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H24N3O10
InChI InChI=1S/C19H25N3O10/c1-8(23)20-11(6-9-2-4-10(24)5-3-9)16(27)21-12(18(28)29)13-14(25)19(30)7-32-17(15(19)26)22(13)31/h2-5,11-15,17,24-26,30-31H,6-7H2,1H3,(H,20,23)(H,21,27)(H,28,29)/t11-,12?,13+,14-,15+,17-,19+/m0/s1
InChIKey RMPBTJXFBUPSJJ-WLLUZDSCSA-N
Literature Reference Author J.M.BERGE,N.J.P.BROOM,C.S.V.HOUGE-FRYDRYCH,R.L.JARVEST,L.MEN SAH,D.J.MCNAIR,P.J.O
Literature Reference Citation J.ANTIBIOTICS,53,1282(2000)
Literature Reference DOI 10.7164/antibiotics.53.1282
Molecular Weight 454.414 g/mol
Solvent D2O
Source File Reference UWRU7291