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2-(2,4,5,8-TETRAHYDROXY-7-OXA-2-AZABICYCLO-[3.2.1]-OCT-3-YL)-2-(TYROSYLAMINO)-ACETIC-ACID-N-BUTYL-AMIDE
SpectraBase Compound ID 7NlR4pU1JNm
InChI InChI=1S/C21H32N4O8/c1-2-3-8-23-19(30)14(15-16(27)21(31)10-33-20(17(21)28)25(15)32)24-18(29)13(22)9-11-4-6-12(26)7-5-11/h4-7,13-17,20,26-28,31-32H,2-3,8-10,22H2,1H3,(H,23,30)(H,24,29)/t13-,14?,15+,16-,17+,20-,21+/m0/s1
InChIKey YLZAEDYSARUBHX-KJLBAAIISA-N
Mol Weight 468.5 g/mol
Molecular Formula C21H32N4O8
Exact Mass 468.222014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LB8TFYERzoJ
Name 2-(2,4,5,8-TETRAHYDROXY-7-OXA-2-AZABICYCLO-[3.2.1]-OCT-3-YL)-2-(TYROSYLAMINO)-ACETIC-ACID-N-BUTYL-AMIDE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31N4O8
InChI InChI=1S/C21H32N4O8/c1-2-3-8-23-19(30)14(15-16(27)21(31)10-33-20(17(21)28)25(15)32)24-18(29)13(22)9-11-4-6-12(26)7-5-11/h4-7,13-17,20,26-28,31-32H,2-3,8-10,22H2,1H3,(H,23,30)(H,24,29)/t13-,14?,15+,16-,17+,20-,21+/m0/s1
InChIKey YLZAEDYSARUBHX-KJLBAAIISA-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 467.499 g/mol
Solvent D2O
Source File Reference UWRU7292