![(1S,3S,4S)-9-(3-HYDROXY-4-[(4,4'-DIMETHOXYTRITYL)-OXY]-CYClOPENT-1-YL)-9H-ADENINE](/api/spectrum/8kDA78zj9uy/structure.png?h=300&w=458 "(1S,3S,4S)-9-(3-HYDROXY-4-[(4,4'-DIMETHOXYTRITYL)-OXY]-CYClOPENT-1-YL)-9H-ADENINE")
| SpectraBase Compound ID | 3dIQWbJHQra |
|---|---|
| InChI | InChI=1S/C31H31N5O4/c1-38-24-12-8-21(9-13-24)31(20-6-4-3-5-7-20,22-10-14-25(39-2)15-11-22)40-27-17-23(16-26(27)37)36-19-35-28-29(32)33-18-34-30(28)36/h3-15,18-19,23,26-27,37H,16-17H2,1-2H3,(H2,32,33,34)/t23-,26-,27-/m0/s1 |
| InChIKey | FCSGEGFTCIGMBB-YGPDHOBYSA-N |
| Mol Weight | 537.62 g/mol |
| Molecular Formula | C31H31N5O4 |
| Exact Mass | 537.237604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kDA78zj9uy |
|---|---|
| Name | (1S,3S,4S)-9-(3-HYDROXY-4-[(4,4'-DIMETHOXYTRITYL)-OXY]-CYClOPENT-1-YL)-9H-ADENINE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H31N5O4 |
| InChI | InChI=1S/C31H31N5O4/c1-38-24-12-8-21(9-13-24)31(20-6-4-3-5-7-20,22-10-14-25(39-2)15-11-22)40-27-17-23(16-26(27)37)36-19-35-28-29(32)33-18-34-30(28)36/h3-15,18-19,23,26-27,37H,16-17H2,1-2H3,(H2,32,33,34)/t23-,26-,27-/m0/s1 |
| InChIKey | FCSGEGFTCIGMBB-YGPDHOBYSA-N |
| Literature Reference Author | M.KOGA,S.W.SCHNELLER |
| Literature Reference Citation | J.ORG.CHEM.,58,6471(1993) |
| Literature Reference DOI | 10.1021/jo00075a052 |
| Molecular Weight | 537.618 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS19416 |