![PSEUDOTRIENIC_ACID_A;(2-E,4-E,6-E)-9-[((2-S,3-R)-3-HYDROXY-4-{[(3-E,5-E,7-RS)-7-HYDROXY-4-METHYLHEXADECA-3,5-DIENOYL]-AMINO}-2-METHYLBUTAN](/api/spectrum/8mjD7yucqWI/structure.png?h=300&w=458 "PSEUDOTRIENIC_ACID_A;(2-E,4-E,6-E)-9-[((2-S,3-R)-3-HYDROXY-4-{[(3-E,5-E,7-RS)-7-HYDROXY-4-METHYLHEXADECA-3,5-DIENOYL]-AMINO}-2-METHYLBUTAN")
| SpectraBase Compound ID | E2KBmF5qsFZ |
|---|---|
| InChI | InChI=1S/C31H50N2O6/c1-4-5-6-7-8-11-14-17-27(34)21-19-25(2)20-22-29(36)33-24-28(35)26(3)31(39)32-23-16-13-10-9-12-15-18-30(37)38/h9-10,12-13,15,18-21,26-28,34-35H,4-8,11,14,16-17,22-24H2,1-3H3,(H,32,39)(H,33,36)(H,37,38)/b12-9+,13-10+,18-15+,21-19+,25-20+/t26-,27?,28-/m0/s1 |
| InChIKey | WBVCUTBXBMPSBQ-UQLNNEGESA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C31H50N2O6 |
| Exact Mass | 546.366887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mjD7yucqWI |
|---|---|
| Name | PSEUDOTRIENIC_ACID_A;(2-E,4-E,6-E)-9-[((2-S,3-R)-3-HYDROXY-4-{[(3-E,5-E,7-RS)-7-HYDROXY-4-METHYLHEXADECA-3,5-DIENOYL]-AMINO}-2-METHYLBUTAN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50N2O6 |
| InChI | InChI=1S/C31H50N2O6/c1-4-5-6-7-8-11-14-17-27(34)21-19-25(2)20-22-29(36)33-24-28(35)26(3)31(39)32-23-16-13-10-9-12-15-18-30(37)38/h9-10,12-13,15,18-21,26-28,34-35H,4-8,11,14,16-17,22-24H2,1-3H3,(H,32,39)(H,33,36)(H,37,38)/b12-9+,13-10+,18-15+,21-19+,25-20+/t26-,27?,28-/m0/s1 |
| InChIKey | WBVCUTBXBMPSBQ-UQLNNEGESA-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 | 546.748 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ13241 |