![1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-[[(DIMETHYLAMINO)-METHYLIDENE]-AMINO]-3-(HEX-1-YNYL)-1H-PYRAZOLO-](/api/spectrum/64GYUQQ2H4C/structure.png?h=300&w=458 "1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-[[(DIMETHYLAMINO)-METHYLIDENE]-AMINO]-3-(HEX-1-YNYL)-1H-PYRAZOLO-")
| SpectraBase Compound ID | 4oi13h5Xo9q |
|---|---|
| InChI | InChI=1S/C40H44N6O5/c1-6-7-8-12-15-33-37-38(43-27-45(2)3)41-26-42-39(37)46(44-33)36-24-34(47)35(51-36)25-50-40(28-13-10-9-11-14-28,29-16-20-31(48-4)21-17-29)30-18-22-32(49-5)23-19-30/h9-11,13-14,16-23,26-27,34-36,47H,6-8,24-25H2,1-5H3/b43-27+/t34-,35+,36+/m1/s1 |
| InChIKey | SWBWHDXRSMZSSL-VBFPUGPMSA-N |
| Mol Weight | 688.8 g/mol |
| Molecular Formula | C40H44N6O5 |
| Exact Mass | 688.337319 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64GYUQQ2H4C |
|---|---|
| Name | 1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-[[(DIMETHYLAMINO)-METHYLIDENE]-AMINO]-3-(HEX-1-YNYL)-1H-PYRAZOLO- |
| Compound Number | 5C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H44N6O5 |
| InChI | InChI=1S/C40H44N6O5/c1-6-7-8-12-15-33-37-38(43-27-45(2)3)41-26-42-39(37)46(44-33)36-24-34(47)35(51-36)25-50-40(28-13-10-9-11-14-28,29-16-20-31(48-4)21-17-29)30-18-22-32(49-5)23-19-30/h9-11,13-14,16-23,26-27,34-36,47H,6-8,24-25H2,1-5H3/b43-27+/t34-,35+,36+/m1/s1 |
| InChIKey | SWBWHDXRSMZSSL-VBFPUGPMSA-N |
| Literature Reference Author | F.SEELA,M.ZULAUF |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,479(1999) |
| Literature Reference DOI | 10.1039/a808769e |
| Molecular Weight | 688.827 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWGE3370 |