| SpectraBase Compound ID | 9CupERpIvEk |
|---|---|
| InChI | InChI=1S/C29H44N2O5/c1-4-5-6-7-8-9-12-15-18-23(2)26-21-27(33)31-22-25(32)24(3)29(35)30-20-17-14-11-10-13-16-19-28(34)36-26/h10-16,18-19,24-26,32H,4-9,17,20-22H2,1-3H3,(H,30,35)(H,31,33)/b13-10+,14-11+,15-12+,19-16+,23-18+/t24-,25-,26?/m0/s1 |
| InChIKey | BMWFPIGVZGRBAD-RAGDZHOCSA-N |
| Mol Weight | 500.7 g/mol |
| Molecular Formula | C29H44N2O5 |
| Exact Mass | 500.325023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 77cFCHhNFar |
|---|---|
| Name | PSEUDOTRIENIC_ACID_B_LACTONE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44N2O5 |
| InChI | InChI=1S/C29H44N2O5/c1-4-5-6-7-8-9-12-15-18-23(2)26-21-27(33)31-22-25(32)24(3)29(35)30-20-17-14-11-10-13-16-19-28(34)36-26/h10-16,18-19,24-26,32H,4-9,17,20-22H2,1-3H3,(H,30,35)(H,31,33)/b13-10+,14-11+,15-12+,19-16+,23-18+/t24-,25-,26?/m0/s1 |
| InChIKey | BMWFPIGVZGRBAD-RAGDZHOCSA-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 | 500.679 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ13244 |