![#13D;O6-Cyanoethyl-N2-isobutyryl-5'-o-[bis-(4-methoxyphenyl)-phenylmethyl]-3'-o-[(2S,5S)-3-methyl-5-phenyl-1,3,2-oxazaphospholidin-2-yl]-2'-deoxyguanosine](/api/spectrum/KddoSVvSei0/structure.png?h=300&w=458 "#13D;O6-Cyanoethyl-N2-isobutyryl-5'-o-[bis-(4-methoxyphenyl)-phenylmethyl]-3'-o-[(2S,5S)-3-methyl-5-phenyl-1,3,2-oxazaphospholidin-2-yl]-2'-deoxyguanosine")
| SpectraBase Compound ID | 3s9jZdYZPZl |
|---|---|
| InChI | InChI=1S/C47H52N7O8P/c1-30(2)44(55)51-46-50-43-42(45(52-46)59-31(3)26-48)49-29-54(43)41-25-38(61-63-53(4)27-39(62-63)32-13-9-7-10-14-32)40(60-41)28-58-47(33-15-11-8-12-16-33,34-17-21-36(56-5)22-18-34)35-19-23-37(57-6)24-20-35/h7-24,29-31,38-41,45H,25,27-28H2,1-6H3,(H2,50,51,52,55)/t31?,38-,39+,40+,41+,45?,63?/m1/s1 |
| InChIKey | GBBFDWHDSRLUGH-NGKVTXGESA-N |
| Mol Weight | 873.9 g/mol |
| Molecular Formula | C47H52N7O8P |
| Exact Mass | 873.361499 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KddoSVvSei0 |
|---|---|
| Name | #13D;O6-CYANOETHYL-N2-ISOBUTYRYL-5'-O-[BIS-(4-METHOXYPHENYL)-PHENYLMETHYL]-3'-O-[(2S,5S)-3-METHYL-5-PHENYL-1,3,2-OXAZAPHOSPHOLIDIN-2-YL]-2'-DEOXYGUANOSINE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H52N7O8P |
| InChI | InChI=1S/C47H52N7O8P/c1-30(2)44(55)51-46-50-43-42(45(52-46)59-31(3)26-48)49-29-54(43)41-25-38(61-63-53(4)27-39(62-63)32-13-9-7-10-14-32)40(60-41)28-58-47(33-15-11-8-12-16-33,34-17-21-36(56-5)22-18-34)35-19-23-37(57-6)24-20-35/h7-24,29-31,38-41,45H,25,27-28H2,1-6H3,(H2,50,51,52,55)/t31?,38-,39+,40+,41+,45?,63?/m1/s1 |
| InChIKey | GBBFDWHDSRLUGH-NGKVTXGESA-N |
| Literature Reference Author | N.OKA,T.WADA,K.SAIGO |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,8307(2003) |
| Literature Reference DOI | 10.1021/ja034502z |
| Solvent | CDCl3 |
| Source File Reference | UWLU41766 |