| SpectraBase Compound ID | KDswEiPBaZP |
|---|---|
| InChI | InChI=1S/C54H95N3O16/c1-32-16-19-42(59)38(7)46(63)30-44(61)34(3)18-21-49(67)72-51(36(5)25-33(2)15-13-11-9-10-12-14-24-57-53(55)56-8)35(4)17-20-43(60)37(6)45(62)27-39(58)26-40(71-50(68)31-48(65)66)28-41-29-47(64)52(69)54(70,73-41)23-22-32/h9-10,17-18,20-21,32-47,51-52,58-64,69-70H,11-16,19,22-31H2,1-8H3,(H,65,66)(H3,55,56,57)/b10-9+,20-17+,21-18+ |
| InChIKey | DJTUBZQCOXOGEQ-ZHUNZMOSSA-N |
| Mol Weight | 1042.4 g/mol |
| Molecular Formula | C54H95N3O16 |
| Exact Mass | 1041.671234 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 74SGbiXQxGR |
|---|---|
| Name | NEO-COPIAMYCIN-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H95N3O16 |
| InChI | InChI=1S/C54H95N3O16/c1-32-16-19-42(59)38(7)46(63)30-44(61)34(3)18-21-49(67)72-51(36(5)25-33(2)15-13-11-9-10-12-14-24-57-53(55)56-8)35(4)17-20-43(60)37(6)45(62)27-39(58)26-40(71-50(68)31-48(65)66)28-41-29-47(64)52(69)54(70,73-41)23-22-32/h9-10,17-18,20-21,32-47,51-52,58-64,69-70H,11-16,19,22-31H2,1-8H3,(H,65,66)(H3,55,56,57)/b10-9+,20-17+,21-18+ |
| InChIKey | DJTUBZQCOXOGEQ-ZHUNZMOSSA-N |
| Literature Reference Author | T.FUKAI,J.KURODA,T.NOMURA,J.UNO,M.AKAO |
| Literature Reference Citation | J.ANTIBIOTICS,52,340(1999) |
| Literature Reference DOI | 10.7164/antibiotics.52.340 |
| Molecular Weight | 1042.359 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU1966 |