| SpectraBase Compound ID | 6QRgyL7psUh |
|---|---|
| InChI | InChI=1S/C36H34N5O13P/c42-16-23-26(43)28(33(50-23)41-19-39-25-30(37-18-38-31(25)41)40-32(44)20-10-4-1-5-11-20)54-36-29(53-35(46)22-14-8-3-9-15-22)27(24(51-36)17-49-55(47)48)52-34(45)21-12-6-2-7-13-21/h1-15,18-19,23-24,26-29,33,36,42-43,55H,16-17H2,(H,47,48)(H,37,38,40,44)/t23-,24-,26-,27-,28-,29-,33-,36+/m1/s1 |
| InChIKey | YLQNEKFIFLWNNV-GGZLLHGVSA-N |
| Mol Weight | 775.7 g/mol |
| Molecular Formula | C36H34N5O13P |
| Exact Mass | 775.189073 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lvKklvNlRx |
|---|---|
| Name | 6-N-BENZOYL-2'-O-(5''-H-PHOSPHONATE-2'',3''-DI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-ADENOSINE |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H33N5O13P |
| InChI | InChI=1S/C36H34N5O13P/c42-16-23-26(43)28(33(50-23)41-19-39-25-30(37-18-38-31(25)41)40-32(44)20-10-4-1-5-11-20)54-36-29(53-35(46)22-14-8-3-9-15-22)27(24(51-36)17-49-55(47)48)52-34(45)21-12-6-2-7-13-21/h1-15,18-19,23-24,26-29,33,36,42-43,55H,16-17H2,(H,47,48)(H,37,38,40,44)/t23-,24-,26-,27-,28-,29-,33-,36+/m1/s1 |
| InChIKey | YLQNEKFIFLWNNV-GGZLLHGVSA-N |
| Literature Reference Author | M.K.CHMIELEWSKI,W.T.MARKIEWICZ |
| Literature Reference Citation | MOLECULES,18,14780(2013) |
| Literature Reference DOI | 10.3390/molecules181214780 |
| Solvent | D2O |
| Source File Reference | UWIR9927 |