| SpectraBase Compound ID | 2bwp9CWgLbz |
|---|---|
| InChI | InChI=1S/C49H78N6O12/c1-14-29(8)40-38(56)25-39(57)67-43(28(6)7)42(58)30(9)44(59)51-35(23-27(4)5)47(62)55-21-15-16-36(55)48(63)54(12)37(24-32-17-19-33(65-13)20-18-32)49(64)66-31(10)41(46(61)52-40)53-45(60)34(50-11)22-26(2)3/h17-20,26-31,34-38,40-41,43,50,56H,14-16,21-25H2,1-13H3,(H,51,59)(H,52,61)(H,53,60) |
| InChIKey | XQZOGOCTPKFYKC-UHFFFAOYSA-N |
| Mol Weight | 943.2 g/mol |
| Molecular Formula | C49H78N6O12 |
| Exact Mass | 942.567772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AC5fFGOdUZL |
|---|---|
| Name | Didemnin A |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C49H78N6O12 |
| InChI | InChI=1S/C49H78N6O12/c1-14-29(8)40-38(56)25-39(57)67-43(28(6)7)42(58)30(9)44(59)51-35(23-27(4)5)47(62)55-21-15-16-36(55)48(63)54(12)37(24-32-17-19-33(65-13)20-18-32)49(64)66-31(10)41(46(61)52-40)53-45(60)34(50-11)22-26(2)3/h17-20,26-31,34-38,40-41,43,50,56H,14-16,21-25H2,1-13H3,(H,51,59)(H,52,61)(H,53,60) |
| InChIKey | XQZOGOCTPKFYKC-UHFFFAOYSA-N |
| Instrument Name | Bruker WH-500 |
| Literature Reference | H. Kessler, M. Will, G.M. Sheldrick, J.Antel, Magn. Res. Chem. 26, 501 (1988). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |