| SpectraBase Compound ID | ByzUkQGVk2h |
|---|---|
| InChI | InChI=1S/C39H45N9O11/c1-19(43-38(57)44-28(37(55)56)14-22-16-40-26-9-5-4-8-24(22)26)33(52)46-32(20(2)47(3)35(54)27-13-21-7-6-10-29(49)25(21)18-41-27)34(53)42-17-23-15-30(50)36(59-23)48-12-11-31(51)45-39(48)58/h4-12,16-17,19-20,27-28,30,32,36,40-41,49-50H,13-15,18H2,1-3H3,(H,42,53)(H,46,52)(H,55,56)(H2,43,44,57)(H,45,51,58)/b23-17+ |
| InChIKey | CZFUSRPUOPGWDS-HAVVHWLPSA-N |
| Mol Weight | 815.8 g/mol |
| Molecular Formula | C39H45N9O11 |
| Exact Mass | 815.323853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LSv0a3kHOwQ |
|---|---|
| Name | PACIDAMYCIN-4N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H45N9O11 |
| InChI | InChI=1S/C39H45N9O11/c1-19(43-38(57)44-28(37(55)56)14-22-16-40-26-9-5-4-8-24(22)26)33(52)46-32(20(2)47(3)35(54)27-13-21-7-6-10-29(49)25(21)18-41-27)34(53)42-17-23-15-30(50)36(59-23)48-12-11-31(51)45-39(48)58/h4-12,16-17,19-20,27-28,30,32,36,40-41,49-50H,13-15,18H2,1-3H3,(H,42,53)(H,46,52)(H,55,56)(H2,43,44,57)(H,45,51,58)/b23-17+ |
| InChIKey | CZFUSRPUOPGWDS-HAVVHWLPSA-N |
| Literature Reference Author | R.M.FRONKO,J.C.LEE,J.G.GALAZZO,S.CHAMBERLAND,F.MALOUIN,M.D.L EE |
| Literature Reference Citation | J.ANTIBIOTICS,53,1405(2000) |
| Literature Reference DOI | 10.7164/antibiotics.53.1405 |
| Molecular Weight | 815.840 g/mol |
| Solvent | D2O |
| Source File Reference | UWRU3978 |