![ISOMER_1;3-BROMO-1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-{[DIMETHYLAMINO)-METHYLIDENE]-AMINO}-1-H-PYRAZOLO](/api/spectrum/bGbYPVwicq/structure.png?h=300&w=458 "ISOMER_1;3-BROMO-1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-{[DIMETHYLAMINO)-METHYLIDENE]-AMINO}-1-H-PYRAZOLO")
| SpectraBase Compound ID | 1w9fpTgJJJG |
|---|---|
| InChI | InChI=1S/C43H52BrN8O6P/c1-29(2)52(30(3)4)59(56-24-12-23-45)58-36-25-38(51-42-39(40(44)49-51)41(46-27-47-42)48-28-50(5)6)57-37(36)26-55-43(31-13-10-9-11-14-31,32-15-19-34(53-7)20-16-32)33-17-21-35(54-8)22-18-33/h9-11,13-22,27-30,36-38H,12,24-26H2,1-8H3/b48-28+/t36-,37+,38+,59?/m0/s1 |
| InChIKey | YHXLDPKKIVQHFW-MHUJKLTLSA-N |
| Mol Weight | 887.8 g/mol |
| Molecular Formula | C43H52BrN8O6P |
| Exact Mass | 886.293081 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | bGbYPVwicq |
|---|---|
| Name | ISOMER_2;3-BROMO-1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-{[DIMETHYLAMINO)-METHYLIDENE]-AMINO}-1-H-PYRAZOLO |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H52BrN8O6P |
| InChI | InChI=1S/C43H52BrN8O6P/c1-29(2)52(30(3)4)59(56-24-12-23-45)58-36-25-38(51-42-39(40(44)49-51)41(46-27-47-42)48-28-50(5)6)57-37(36)26-55-43(31-13-10-9-11-14-31,32-15-19-34(53-7)20-16-32)33-17-21-35(54-8)22-18-33/h9-11,13-22,27-30,36-38H,12,24-26H2,1-8H3/b48-28+/t36-,37+,38+,59?/m0/s1 |
| InChIKey | YHXLDPKKIVQHFW-MHUJKLTLSA-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 | UWMZ11246 |