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#8;ETHYL-(4-NITROPHENYL)-(11-[(2-[(2-[6-(5-[(3AR,4R,6AS)-2-OXOPERHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL]-PENTANOYLAMINO)-HEXANOYL]-AMINOETHYL)-DISULFANYL]-ETHYLAMIN
SpectraBase Compound ID DEOjGiu08Ab
InChI InChI=1S/C40H67N6O10PS3/c1-2-55-57(53,56-33-22-20-32(21-23-33)46(51)52)28-16-9-7-5-3-4-6-8-15-27-54-40(50)43-26-30-60-59-29-25-42-37(48)18-11-10-14-24-41-36(47)19-13-12-17-35-38-34(31-58-35)44-39(49)45-38/h20-23,34-35,38H,2-19,24-31H2,1H3,(H,41,47)(H,42,48)(H,43,50)(H2,44,45,49)/t34-,35-,38-,57?/m0/s1
InChIKey UYFBVAZJOJQAJO-VTHWNTOWSA-N
Mol Weight 919.2 g/mol
Molecular Formula C40H67N6O10PS3
Exact Mass 918.381843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGiVStomhV8
Name #8;ETHYL-(4-NITROPHENYL)-(11-[(2-[(2-[6-(5-[(3AR,4R,6AS)-2-OXOPERHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL]-PENTANOYLAMINO)-HEXANOYL]-AMINOETHYL)-DISULFANYL]-ETHYLAMIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H67N6O10PS3
InChI InChI=1S/C40H67N6O10PS3/c1-2-55-57(53,56-33-22-20-32(21-23-33)46(51)52)28-16-9-7-5-3-4-6-8-15-27-54-40(50)43-26-30-60-59-29-25-42-37(48)18-11-10-14-24-41-36(47)19-13-12-17-35-38-34(31-58-35)44-39(49)45-38/h20-23,34-35,38H,2-19,24-31H2,1H3,(H,41,47)(H,42,48)(H,43,50)(H2,44,45,49)/t34-,35-,38-,57?/m0/s1
InChIKey UYFBVAZJOJQAJO-VTHWNTOWSA-N
Literature Reference Author H.J.DEUSSEN,S.DANIELSEN,J.BREINHOLT,T.V.BORCHERT
Literature Reference Citation BIOORG.MED.CHEM.,8,507(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00002-X
Molecular Weight 919.160 g/mol
Solvent CDCl3
Source File Reference UWSI21030