![ISOMER_1;1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-PENTOFURANOSYL]-4-{[(DIMETHYLAMINO)-METHYLIDENE]-AMINO}-3-(HEX-1-YNYL)-1-H-PYRAZOLO](/api/spectrum/C2IuCTN4NwJ/structure.png?h=300&w=458 "ISOMER_1;1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-PENTOFURANOSYL]-4-{[(DIMETHYLAMINO)-METHYLIDENE]-AMINO}-3-(HEX-1-YNYL)-1-H-PYRAZOLO")
| SpectraBase Compound ID | B8dc7zHYauW |
|---|---|
| InChI | InChI=1S/C49H61N8O6P/c1-10-11-12-16-20-42-46-47(53-34-55(6)7)51-33-52-48(46)56(54-42)45-31-43(63-64(61-30-17-29-50)57(35(2)3)36(4)5)44(62-45)32-60-49(37-18-14-13-15-19-37,38-21-25-40(58-8)26-22-38)39-23-27-41(59-9)28-24-39/h13-15,18-19,21-28,33-36,43-45H,10-12,17,30-32H2,1-9H3/b53-34+/t43-,44+,45+,64?/m0/s1 |
| InChIKey | GITBMWGXQHZCGN-ROKUQQDBSA-N |
| Mol Weight | 889.1 g/mol |
| Molecular Formula | C49H61N8O6P |
| Exact Mass | 888.445169 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C2IuCTN4NwJ |
|---|---|
| Name | ISOMER_2;1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-PENTOFURANOSYL]-4-{[(DIMETHYLAMINO)-METHYLIDENE]-AMINO}-3-(HEX-1-YNYL)-1-H-PYRAZOLO |
| Compound Number | 2C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H61N8O6P |
| InChI | InChI=1S/C49H61N8O6P/c1-10-11-12-16-20-42-46-47(53-34-55(6)7)51-33-52-48(46)56(54-42)45-31-43(63-64(61-30-17-29-50)57(35(2)3)36(4)5)44(62-45)32-60-49(37-18-14-13-15-19-37,38-21-25-40(58-8)26-22-38)39-23-27-41(59-9)28-24-39/h13-15,18-19,21-28,33-36,43-45H,10-12,17,30-32H2,1-9H3/b53-34+/t43-,44+,45+,64?/m0/s1 |
| InChIKey | GITBMWGXQHZCGN-ROKUQQDBSA-N |
| Literature Reference Author | F.SEELA,M.ZULAUF |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,479(1999) |
| Literature Reference DOI | 10.1039/a808769e |
| Solvent | CDCl3 |
| Source File Reference | UWMZ11250 |