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2-(2,4,5,8-TETRAHYDROXY-7-OXA-2-AZABICYCLO-[3.2.1]-OCT-3-YL)-2-[(N-BENZYLOXY-CARBONYL)-TYROSYLAMINO]-ACETIC-ACIDSODIUM-ACETATE

View entire compound with spectra: 1 NMR

2-(2,4,5,8-TETRAHYDROXY-7-OXA-2-AZABICYCLO-[3.2.1]-OCT-3-YL)-2-[(N-BENZYLOXY-CARBONYL)-TYROSYLAMINO]-ACETIC-ACIDSODIUM-ACETATE
SpectraBase Compound ID 8zuVRgesjUc
InChI InChI=1S/C25H29N3O11.Na/c29-15-8-6-13(7-9-15)10-16(26-24(35)38-11-14-4-2-1-3-5-14)21(32)27-17(23(33)34)18-19(30)25(36)12-39-22(20(25)31)28(18)37;/h1-9,16-20,22,29-31,36-37H,10-12H2,(H,26,35)(H,27,32)(H,33,34);/q;+1/p-1/t16-,17?,18+,19-,20+,22-,25+;/m0./s1
InChIKey ROECBJRXQCNMBK-GZWZAYBMSA-M
Mol Weight 569.5 g/mol
Molecular Formula C25H28N3NaO11
Exact Mass 569.162153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID zWXWafXUWK
Name 2-(2,4,5,8-TETRAHYDROXY-7-OXA-2-AZABICYCLO-[3.2.1]-OCT-3-YL)-2-[(N-BENZYLOXY-CARBONYL)-TYROSYLAMINO]-ACETIC-ACIDSODIUM-ACETATE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H27N3NaO11
InChI InChI=1S/C25H29N3O11.Na/c29-15-8-6-13(7-9-15)10-16(26-24(35)38-11-14-4-2-1-3-5-14)21(32)27-17(23(33)34)18-19(30)25(36)12-39-22(20(25)31)28(18)37;/h1-9,16-20,22,29-31,36-37H,10-12H2,(H,26,35)(H,27,32)(H,33,34);/q;+1/p-1/t16-,17?,18+,19-,20+,22-,25+;/m0./s1
InChIKey ROECBJRXQCNMBK-GZWZAYBMSA-M
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 568.493 g/mol
Solvent D2O
Source File Reference UWRU7290