| SpectraBase Compound ID | Dv0kvIZfOVe |
|---|---|
| InChI | InChI=1S/C51H89NO14/c1-13-36(53)27-38-31(2)22-26-50(64-38)29-39-32(3)40(65-50)30-51(60-12)35(28-47(6,7)66-51)19-17-15-14-16-18-24-48(8,58)46(57)44(63-42-21-20-37(52(10)11)34(5)61-42)43(55)33(4)45(56)49(9,59)25-23-41(54)62-39/h17,19,23,25,31-40,42-46,53,55-59H,13-16,18,20-22,24,26-30H2,1-12H3/b19-17+,25-23+/t31?,32?,33?,34-,35?,36?,37-,38?,39?,40?,42-,43?,44?,45?,46?,48?,49?,50?,51?/m1/s1 |
| InChIKey | HJVKFCGOWPAZLP-UQNTVHOLSA-N |
| Mol Weight | 940.3 g/mol |
| Molecular Formula | C51H89NO14 |
| Exact Mass | 939.628307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J49YQnTwF8c |
|---|---|
| Name | DUNAIMYCIN-D4S |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H89NO14 |
| InChI | InChI=1S/C51H89NO14/c1-13-36(53)27-38-31(2)22-26-50(64-38)29-39-32(3)40(65-50)30-51(60-12)35(28-47(6,7)66-51)19-17-15-14-16-18-24-48(8,58)46(57)44(63-42-21-20-37(52(10)11)34(5)61-42)43(55)33(4)45(56)49(9,59)25-23-41(54)62-39/h17,19,23,25,31-40,42-46,53,55-59H,13-16,18,20-22,24,26-30H2,1-12H3/b19-17+,25-23+/t31?,32?,33?,34-,35?,36?,37-,38?,39?,40?,42-,43?,44?,45?,46?,48?,49?,50?,51?/m1/s1 |
| InChIKey | HJVKFCGOWPAZLP-UQNTVHOLSA-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 | 940.266 g/mol |
| Sample ID | 66614 |
| Solvent | CDCl3 |