![PSEUDOTRIENIC_ACID_B;(2-E,4-E,6-E)-9-[((2-S,3-R)-3-HYDROXY-4-{[(3-E,5-E,7-RS)-7-HYDROXY-4-METHYLTETRADECA-3,5-DIENOYL]-AMINO}-2-METHYLBUTAN](/api/spectrum/HdCd9P3quOu/structure.png?h=300&w=458 "PSEUDOTRIENIC_ACID_B;(2-E,4-E,6-E)-9-[((2-S,3-R)-3-HYDROXY-4-{[(3-E,5-E,7-RS)-7-HYDROXY-4-METHYLTETRADECA-3,5-DIENOYL]-AMINO}-2-METHYLBUTAN")
| SpectraBase Compound ID | 6TMDyy7Heb |
|---|---|
| InChI | InChI=1S/C29H46N2O6/c1-4-5-6-9-12-15-25(32)19-17-23(2)18-20-27(34)31-22-26(33)24(3)29(37)30-21-14-11-8-7-10-13-16-28(35)36/h7-8,10-11,13,16-19,24-26,32-33H,4-6,9,12,14-15,20-22H2,1-3H3,(H,30,37)(H,31,34)(H,35,36)/b10-7+,11-8+,16-13+,19-17+,23-18+/t24-,25?,26-/m0/s1 |
| InChIKey | KUBFEPFJIGSSKC-DXIDGMHMSA-N |
| Mol Weight | 518.7 g/mol |
| Molecular Formula | C29H46N2O6 |
| Exact Mass | 518.335587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HdCd9P3quOu |
|---|---|
| Name | PSEUDOTRIENIC_ACID_B;(2-E,4-E,6-E)-9-[((2-S,3-R)-3-HYDROXY-4-{[(3-E,5-E,7-RS)-7-HYDROXY-4-METHYLTETRADECA-3,5-DIENOYL]-AMINO}-2-METHYLBUTAN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46N2O6 |
| InChI | InChI=1S/C29H46N2O6/c1-4-5-6-9-12-15-25(32)19-17-23(2)18-20-27(34)31-22-26(33)24(3)29(37)30-21-14-11-8-7-10-13-16-28(35)36/h7-8,10-11,13,16-19,24-26,32-33H,4-6,9,12,14-15,20-22H2,1-3H3,(H,30,37)(H,31,34)(H,35,36)/b10-7+,11-8+,16-13+,19-17+,23-18+/t24-,25?,26-/m0/s1 |
| InChIKey | KUBFEPFJIGSSKC-DXIDGMHMSA-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 | 518.694 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ13242 |