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B-90063;BIS-[6-FORMYL-4-HYDROXY-2-(2'-N-PENTYLOXAZOL-4'-YL)-4-PYRIDON-3-YL]-DISULFIDE
SpectraBase Compound ID GUK6tbkCmiq
InChI InChI=1S/C28H30N4O6S2/c1-3-5-7-9-23-31-19(15-37-23)25-27(21(35)11-17(13-33)29-25)39-40-28-22(36)12-18(14-34)30-26(28)20-16-38-24(32-20)10-8-6-4-2/h11-16H,3-10H2,1-2H3,(H,29,35)(H,30,36)
InChIKey XGYVRFWCPUXVES-UHFFFAOYSA-N
Mol Weight 582.69 g/mol
Molecular Formula C28H30N4O6S2
Exact Mass 582.160677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3aryYNTcUPE
Name B-90063;BIS-[6-FORMYL-4-HYDROXY-2-(2'-N-PENTYLOXAZOL-4'-YL)-4-PYRIDON-3-YL]-DISULFIDE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30N4O6S2
InChI InChI=1S/C28H30N4O6S2/c1-3-5-7-9-23-31-19(15-37-23)25-27(21(35)11-17(13-33)29-25)39-40-28-22(36)12-18(14-34)30-26(28)20-16-38-24(32-20)10-8-6-4-2/h11-16H,3-10H2,1-2H3,(H,29,35)(H,30,36)
InChIKey XGYVRFWCPUXVES-UHFFFAOYSA-N
Literature Reference Author S.TAKAISHI,N.TUCHIYA,A.SATO,T.NEGISHI,Y.TAKAMATSU,Y.MATSUSHI TA,T.WATANABE,Y.IIJI
Literature Reference Citation J.ANTIBIOTICS,51,805(1998)
Literature Reference DOI 10.7164/antibiotics.51.805
Molecular Weight 582.689 g/mol
Solvent CDCl3
Source File Reference UWKP1923