| SpectraBase Compound ID | b5E58Vp9cp |
|---|---|
| InChI | InChI=1S/C50H87NO14/c1-12-35(52)26-37-30(2)21-25-49(63-37)28-38-31(3)39(64-49)29-50(59)34(27-46(6,7)65-50)18-16-14-13-15-17-23-47(8,57)45(56)43(62-41-20-19-36(51(10)11)33(5)60-41)42(54)32(4)44(55)48(9,58)24-22-40(53)61-38/h16,18,22,24,30-39,41-45,52,54-59H,12-15,17,19-21,23,25-29H2,1-11H3/b18-16+,24-22+/t30?,31?,32?,33-,34?,35?,36-,37?,38?,39?,41-,42?,43?,44?,45?,47?,48?,49?,50?/m1/s1 |
| InChIKey | JKWCYQCFARFAFD-RVHIUPSLSA-N |
| Mol Weight | 926.2 g/mol |
| Molecular Formula | C50H87NO14 |
| Exact Mass | 925.612656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYWoX2OWaFY |
|---|---|
| Name | DUNAIMYCIN-D2S |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H87NO14 |
| InChI | InChI=1S/C50H87NO14/c1-12-35(52)26-37-30(2)21-25-49(63-37)28-38-31(3)39(64-49)29-50(59)34(27-46(6,7)65-50)18-16-14-13-15-17-23-47(8,57)45(56)43(62-41-20-19-36(51(10)11)33(5)60-41)42(54)32(4)44(55)48(9,58)24-22-40(53)61-38/h16,18,22,24,30-39,41-45,52,54-59H,12-15,17,19-21,23,25-29H2,1-11H3/b18-16+,24-22+/t30?,31?,32?,33-,34?,35?,36-,37?,38?,39?,41-,42?,43?,44?,45?,47?,48?,49?,50?/m1/s1 |
| InChIKey | JKWCYQCFARFAFD-RVHIUPSLSA-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 | 926.239 g/mol |
| Sample ID | 66611 |
| Solvent | CDCl3 |