| SpectraBase Compound ID | DiQp6scptgz |
|---|---|
| InChI | InChI=1S/C28H36O5/c1-24-14-20(21(15-24)33-23(30)27(24,4)31)28(32)13-11-18-17-9-8-16-6-5-7-22(29)26(16,3)19(17)10-12-25(18,28)2/h5-9,17-21,31-32H,10-15H2,1-4H3/t17-,18-,19-,20?,21+,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey | MHRWSYPOCSNHGI-WVDUMDOJSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C28H36O5 |
| Exact Mass | 452.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9jXVv1mCbj5 |
|---|---|
| Name | ACNISTIN_B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O5 |
| InChI | InChI=1S/C28H36O5/c1-24-14-20(21(15-24)33-23(30)27(24,4)31)28(32)13-11-18-17-9-8-16-6-5-7-22(29)26(16,3)19(17)10-12-25(18,28)2/h5-9,17-21,31-32H,10-15H2,1-4H3/t17-,18-,19-,20?,21+,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey | MHRWSYPOCSNHGI-WVDUMDOJSA-N |
| Literature Reference Author | J.G.LUIS,F.ECHEVERRI,F.GARCIA,M.ROJAS |
| Literature Reference Citation | PLANTA.MED.,60,348(1994) |
| Literature Reference DOI | 10.1055/s-2006-959498 |
| Molecular Weight | 452.591 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP569 |