| SpectraBase Compound ID | Bby4V8hoByJ |
|---|---|
| InChI | InChI=1S/C31H48N2O5/c1-4-5-6-7-8-9-10-11-14-17-20-25(2)28-23-29(35)33-24-27(34)26(3)31(37)32-22-19-16-13-12-15-18-21-30(36)38-28/h12-18,20-21,26-28,34H,4-11,19,22-24H2,1-3H3,(H,32,37)(H,33,35)/b15-12+,16-13+,17-14+,21-18+,25-20+/t26-,27-,28?/m0/s1 |
| InChIKey | SMQQBFOCGHENRA-DQWRMBGSSA-N |
| Mol Weight | 528.7 g/mol |
| Molecular Formula | C31H48N2O5 |
| Exact Mass | 528.356323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7CwGidV2wlt |
|---|---|
| Name | PSEUDOTRIENIC_ACID_A_LACTONE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48N2O5 |
| InChI | InChI=1S/C31H48N2O5/c1-4-5-6-7-8-9-10-11-14-17-20-25(2)28-23-29(35)33-24-27(34)26(3)31(37)32-22-19-16-13-12-15-18-21-30(36)38-28/h12-18,20-21,26-28,34H,4-11,19,22-24H2,1-3H3,(H,32,37)(H,33,35)/b15-12+,16-13+,17-14+,21-18+,25-20+/t26-,27-,28?/m0/s1 |
| InChIKey | SMQQBFOCGHENRA-DQWRMBGSSA-N |
| Literature Reference Author | A.POHANKA,A.BROBERG,M.JOHANSSON,L.KENNE,J.LEVENFORS |
| Literature Reference Citation | J.NAT.PROD.,68,1380(2005) |
| Literature Reference DOI | 10.1021/np050243a |
| Molecular Weight | 528.733 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ13243 |