4-methylbenzoic acid [(3aR,4R,6R,6aR)-6-[6-[bis(4-methylbenzoyl)amino]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-4-yl]methyl ester
Compound with spectra: 1 NMR
![4-methylbenzoic acid [(3aR,4R,6R,6aR)-6-[6-[bis(4-methylbenzoyl)amino]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-4-yl]methyl ester](/api/compound/JYSPvT7PiKX.png?ph=true&h=300&w=458 "4-methylbenzoic acid [(3aR,4R,6R,6aR)-6-[6-[bis(4-methylbenzoyl)amino]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-4-yl]methyl ester")
| SpectraBase Compound ID | JYSPvT7PiKX |
|---|---|
| InChI | InChI=1S/C37H35N5O7/c1-21-6-12-24(13-7-21)33(43)42(34(44)25-14-8-22(2)9-15-25)32-28-31(38-19-39-32)41(20-40-28)35-30-29(48-37(4,5)49-30)27(47-35)18-46-36(45)26-16-10-23(3)11-17-26/h6-17,19-20,27,29-30,35H,18H2,1-5H3/t27-,29-,30-,35-/m1/s1 |
| InChIKey | CDQVAYNZWOJPSQ-KTLRCIACSA-N |
| Mol Weight | 661.7 g/mol |
| Molecular Formula | C37H35N5O7 |
| Exact Mass | 661.253648 g/mol |
| Enantiomer InChIKey | CDQVAYNZWOJPSQ-KQYXSHMLSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
6-N-(4,4'-Dimethoxytrityl)-2',3'-o-isopropylideneadenosine-5'-(methyl-N,N-diisopropylphosphoramidite)
6-N-BENZOYL-2',3',5'-TRIS-O-tert-BUTYL-DIMETHYLSILYL-6-N-METHYL-ADENOSINE
Adenosine, N(6)-[3-trifluoromethylbenzyl]-2',3'-o-isopropylidene-
2',3',5'-TRIS-O-tert-BUTYL-DIMETHYLSILYL-6-N-(2,2,2-TRICHLORO-1,1-DIMETHYL-ETHOXYCARBONYL)-6-N-METHYL-ADENOSINE
2',3',5'-TRIS-O-(tert-BUTYL-DIMETHYLSILYL)-6-N-METHYL-6-N-(2-TRIMETHYLSILYL-ETHOXYCARBONYL)-ADENOSINE
5'-O-(4,4'-DIMETHOXYTRITYL)-N(6)-BENZOYL-2'-O-[2-[(N,N-DIMETHYLAMINO)-OXY]-ETHYL]-ADENOSINE-3'-O-SUCCINATE
6-N-ACETYL-6-N-ALLYL-2',3',5'-TRIS-O-(tert-BUTYL-DIMETHYLSILYL)-ADENOSINE
2',3',5'-TRI-O-BENZOYLADENOSINE-6-N-[O,O-BIS-(2-CYANOETHYL)-PHOSPHORAMIDATE]
5'-o-(4,4'-Dimethoxytrityl)-N6-methyl-2'-o-[[(triisopropylsilyl)-oxy]-methyl]-adenosine-3'-(2-cyanoethyl-diisopropyl-phosphoramidite)
2',3',5'-TRI-O-BENZOYLADENOSINE-6-N-[O,O-BIS-(2-CYANOETHYL)-PHOSPHOROTHIOAMIDATE]
| Title | Journal or Book | Year |
|---|---|---|
| Discussion on 13C nuclear magnetic resonance spectra of nucleoside derivatives. Reflection of structural alterations on 13C chemical shifts | Canadian Journal of Chemistry | 1985 |
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.