SpectraBase Compound ID | GRltcvnqCXG |
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InChI | InChI=1S/C40H40N10O13/c41-38-47-29-26(33(57)49-38)21(10-5-17-1-6-19(7-2-17)31(55)43-22(35(59)60)11-13-24(51)52)28(45-29)40(27-30(46-37(40)63)48-39(42)50-34(27)58)16-15-18-3-8-20(9-4-18)32(56)44-23(36(61)62)12-14-25(53)54/h1-4,6-9,22-23H,5,10-16H2,(H,43,55)(H,44,56)(H,51,52)(H,53,54)(H,59,60)(H,61,62)(H4,41,45,47,49,57)(H4,42,46,48,50,58,63)/t22-,23-,40?/m0/s1 |
InChIKey | MYCCYMLLSPAQLR-SRBWTXITSA-N |
Mol Weight | 868.8 g/mol |
Molecular Formula | C40H40N10O13 |
Exact Mass | 868.277631 g/mol |
SpectraBase Spectrum ID | GQnuEWmqlP8 |
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Name | #10;(2S,2'S)-2,2'-[[2,2'-DIAMINO-4,4',6-TRIOXO-1,4,4',6,7,7'-HEXAHYDRO-1'H,5H-5,6'-BIPYRROLO-[2,3-D]-PYRIMIDINE-5,5'-DIYL]-BIS-(ETHYLENEBENZENE-4,1-DIYL |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C40H40N10O13 |
InChI | InChI=1S/C40H40N10O13/c41-38-47-29-26(33(57)49-38)21(10-5-17-1-6-19(7-2-17)31(55)43-22(35(59)60)11-13-24(51)52)28(45-29)40(27-30(46-37(40)63)48-39(42)50-34(27)58)16-15-18-3-8-20(9-4-18)32(56)44-23(36(61)62)12-14-25(53)54/h1-4,6-9,22-23H,5,10-16H2,(H,43,55)(H,44,56)(H,51,52)(H,53,54)(H,59,60)(H,61,62)(H4,41,45,47,49,57)(H4,42,46,48,50,58,63)/t22-,23-,40?/m0/s1 |
InChIKey | MYCCYMLLSPAQLR-SRBWTXITSA-N |
Literature Reference Author | O.MICHALAK,M.M.GRUZA,A.WITKOWSKA,I.BUJAK,P.CMOCH |
Literature Reference Citation | MOLECULES,20,10004(2015) |
Literature Reference DOI | 10.3390/molecules200610004 |
Solvent | DMSO-D6 |
Source File Reference | UWPA3203 |