| SpectraBase Compound ID | 4fTDPD0iNdN |
|---|---|
| InChI | InChI=1S/C27H43ClN7O11PS/c1-4-12-5-6-30-13(7-12)25(40)34-15(11(2)28)21-19(38)22(20(39)27(45-21)48-3)46-47(41,42)43-8-14-17(36)18(37)26(44-14)35-10-33-16-23(29)31-9-32-24(16)35/h9-15,17-22,26-27,30,36-39H,4-8H2,1-3H3,(H,34,40)(H,41,42)(H2,29,31,32)/t11?,12?,13?,14-,15?,17-,18-,19-,20+,21+,22-,26-,27+/m0/s1 |
| InChIKey | MEWDZVCNNBUSDP-QBFXKBHDSA-N |
| Mol Weight | 740.2 g/mol |
| Molecular Formula | C27H43ClN7O11PS |
| Exact Mass | 739.216741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EtE7LLbyUlK |
|---|---|
| Name | PIRLIMYCIN-3-(5'-ADENYLATE) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42ClN7O11PS |
| InChI | InChI=1S/C27H43ClN7O11PS/c1-4-12-5-6-30-13(7-12)25(40)34-15(11(2)28)21-19(38)22(20(39)27(45-21)48-3)46-47(41,42)43-8-14-17(36)18(37)26(44-14)35-10-33-16-23(29)31-9-32-24(16)35/h9-15,17-22,26-27,30,36-39H,4-8H2,1-3H3,(H,34,40)(H,41,42)(H2,29,31,32)/t11?,12?,13?,14-,15?,17-,18-,19-,20+,21+,22-,26-,27+/m0/s1 |
| InChIKey | MEWDZVCNNBUSDP-QBFXKBHDSA-N |
| Literature Reference Author | V.P.MARSHALL,J.E.M.GEE,J.I.CIALDELLA,L.BACZYNSKYJ,D.G.CHIRBY ,D.A.YUREK,W.F.LIGGE |
| Literature Reference Citation | J.ANTIBIOTICS,44,895(1991) |
| Literature Reference DOI | 10.7164/antibiotics.44.895 |
| Molecular Weight | 739.158 g/mol |
| Sample ID | 66540 |
| Solvent | DMSO-D6 |