KW-2189-N3-ADENINE-ADDUCT
Compound with spectra: 1 NMR
| SpectraBase Compound ID | cspZ9aiiGA |
|---|---|
| InChI | InChI=1S/C37H40N10O8/c1-18-25(36(49)54-6)27-26-20(14-46-17-41-33(38)30-34(46)40-16-39-30)15-47(22(26)13-23(29(27)42-18)55-37(50)45-9-7-44(2)8-10-45)35(48)21-11-19-12-24(51-3)31(52-4)32(53-5)28(19)43-21/h11-13,16-17,20,42-43H,7-10,14-15,38H2,1-6H3/t20-/m1/s1 |
| InChIKey | WOFWDHGGFUCQBB-HXUWFJFHSA-N |
| Mol Weight | 752.8 g/mol |
| Molecular Formula | C37H40N10O8 |
| Exact Mass | 752.303058 g/mol |
| Enantiomer InChIKey | WOFWDHGGFUCQBB-FQEVSTJZSA-N |
| Racemate InChIKey | WOFWDHGGFUCQBB-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Title | Journal or Book | Year |
|---|---|---|
| A Novel Property of Duocarmycin and Its Analogs for Covalent Reaction with DNA | Journal of the American Chemical Society | 1994 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.