![4-AMINO-1-(2-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-3-[2-(17-HYDROXY-3-METHOXY-1,3-5-[10]-ESTRATRIENE-17A-YL)-ETHYNYL]-1-H-PYRAZOLO-[3.4-D]-PYRIMIDINE](/api/spectrum/6oJznfE6hTM/structure.png?h=300&w=458 "4-AMINO-1-(2-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-3-[2-(17-HYDROXY-3-METHOXY-1,3-5-[10]-ESTRATRIENE-17A-YL)-ETHYNYL]-1-H-PYRAZOLO-[3.4-D]-PYRIMIDINE")
| SpectraBase Compound ID | CqAU6rcsIJ2 |
|---|---|
| InChI | InChI=1S/C31H37N5O5/c1-30-10-7-20-19-6-4-18(40-2)13-17(19)3-5-21(20)22(30)8-11-31(30,39)12-9-23-27-28(32)33-16-34-29(27)36(35-23)26-14-24(38)25(15-37)41-26/h4,6,13,16,20-22,24-26,37-39H,3,5,7-8,10-11,14-15H2,1-2H3,(H2,32,33,34)/t20?,21?,22?,24-,25+,26+,30?,31?/m1/s1 |
| InChIKey | VTNQOGLWJKXCLQ-QLJMEQDHSA-N |
| Mol Weight | 559.7 g/mol |
| Molecular Formula | C31H37N5O5 |
| Exact Mass | 559.279469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6oJznfE6hTM |
|---|---|
| Name | 4-AMINO-1-(2-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-3-[2-(17-HYDROXY-3-METHOXY-1,3-5-[10]-ESTRATRIENE-17A-YL)-ETHYNYL]-1-H-PYRAZOLO-[3.4-D]-PYRIMIDINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H37N5O5 |
| InChI | InChI=1S/C31H37N5O5/c1-30-10-7-20-19-6-4-18(40-2)13-17(19)3-5-21(20)22(30)8-11-31(30,39)12-9-23-27-28(32)33-16-34-29(27)36(35-23)26-14-24(38)25(15-37)41-26/h4,6,13,16,20-22,24-26,37-39H,3,5,7-8,10-11,14-15H2,1-2H3,(H2,32,33,34)/t20?,21?,22?,24-,25+,26+,30?,31?/m1/s1 |
| InChIKey | VTNQOGLWJKXCLQ-QLJMEQDHSA-N |
| Literature Reference Author | F.SEELA,M.ZULAUF |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3233(1998) |
| Literature Reference DOI | 10.1039/a804706e |
| Molecular Weight | 559.665 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ6326 |