| SpectraBase Compound ID | LLHe9lORafr |
|---|---|
| InChI | InChI=1S/C50H85NO13/c1-12-35(52)26-37-30(2)21-25-50(63-37)29-40-31(3)38(64-50)27-39-34(28-47(6,7)62-39)18-16-14-13-15-17-23-48(8,57)46(56)44(61-42-20-19-36(51(10)11)33(5)59-42)43(54)32(4)45(55)49(9,58)24-22-41(53)60-40/h16,18,22,24,30-33,35-38,40,42-46,52,54-58H,12-15,17,19-21,23,25-29H2,1-11H3/b18-16+,24-22+/t30?,31?,32?,33-,35?,36-,37?,38?,40?,42-,43?,44?,45?,46?,48?,49?,50?/m1/s1 |
| InChIKey | ODPNYVDJGJMCDE-LCOQALSYSA-N |
| Mol Weight | 908.2 g/mol |
| Molecular Formula | C50H85NO13 |
| Exact Mass | 907.602092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BhajAL60chb |
|---|---|
| Name | DUNAIMYCIN-D3S |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H85NO13 |
| InChI | InChI=1S/C50H85NO13/c1-12-35(52)26-37-30(2)21-25-50(63-37)29-40-31(3)38(64-50)27-39-34(28-47(6,7)62-39)18-16-14-13-15-17-23-48(8,57)46(56)44(61-42-20-19-36(51(10)11)33(5)59-42)43(54)32(4)45(55)49(9,58)24-22-41(53)60-40/h16,18,22,24,30-33,35-38,40,42-46,52,54-58H,12-15,17,19-21,23,25-29H2,1-11H3/b18-16+,24-22+/t30?,31?,32?,33-,35?,36-,37?,38?,40?,42-,43?,44?,45?,46?,48?,49?,50?/m1/s1 |
| InChIKey | ODPNYVDJGJMCDE-LCOQALSYSA-N |
| Literature Reference Author | J.E.HOCHLOWSKI,M.M.MULLALLY,G.M.BRILL,D.N.WHITTERN,A.M.BUKO, P.HILL,J.B.M.ALPINE |
| Literature Reference Citation | J.ANTIBIOTICS,44,1318(1991) |
| Literature Reference DOI | 10.7164/antibiotics.44.1318 |
| Molecular Weight | 908.224 g/mol |
| Sample ID | 66613 |
| Solvent | CDCl3 |