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#20;3A-(1,1-DIMETHYLALLYL)-2-[1-METHOXYCARBONYL-2-(1-TRITYL-1H-IMIDAZOL-4-YL)-VINYLCARBAMOYL]-2,3,3A,8A-TETRAHYDROPYRROLO-[2,3-B]-INDOLE-1,8-DICARBOXYIC-ACID-D
SpectraBase Compound ID 24BKXLXwDpP
InChI InChI=1S/C52H57N5O7/c1-11-50(8,9)51-32-42(57(47(61)64-49(5,6)7)45(51)56(46(60)63-48(2,3)4)41-30-22-21-29-39(41)51)43(58)54-40(44(59)62-10)31-38-33-55(34-53-38)52(35-23-15-12-16-24-35,36-25-17-13-18-26-36)37-27-19-14-20-28-37/h11-31,33-34,42,45H,1,32H2,2-10H3,(H,54,58)/b40-31+/t42-,45?,51+/m1/s1
InChIKey JZYZFLPRYWMBFD-DEOTXUQGSA-N
Mol Weight 864.1 g/mol
Molecular Formula C52H57N5O7
Exact Mass 863.425799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BeCGNHDQ4cq
Name #20;3A-(1,1-DIMETHYLALLYL)-2-[1-METHOXYCARBONYL-2-(1-TRITYL-1H-IMIDAZOL-4-YL)-VINYLCARBAMOYL]-2,3,3A,8A-TETRAHYDROPYRROLO-[2,3-B]-INDOLE-1,8-DICARBOXYIC-ACID-D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H57N5O7
InChI InChI=1S/C52H57N5O7/c1-11-50(8,9)51-32-42(57(47(61)64-49(5,6)7)45(51)56(46(60)63-48(2,3)4)41-30-22-21-29-39(41)51)43(58)54-40(44(59)62-10)31-38-33-55(34-53-38)52(35-23-15-12-16-24-35,36-25-17-13-18-26-36)37-27-19-14-20-28-37/h11-31,33-34,42,45H,1,32H2,2-10H3,(H,54,58)/b40-31+/t42-,45?,51+/m1/s1
InChIKey JZYZFLPRYWMBFD-DEOTXUQGSA-N
Literature Reference Author B.M.SCHIAVI,D.J.RICHARD,M.M.JOULLIE
Literature Reference Citation J.ORG.CHEM.,67,620(2002)
Literature Reference DOI 10.1021/jo0106593
Molecular Weight 864.054 g/mol
Solvent CDCl3
Source File Reference UWMS23163