| SpectraBase Compound ID | K0HTNq84amd |
|---|---|
| InChI | InChI=1S/C22H37NO9/c1-11-8-22(28-7,32-13(3)12(11)2)17(25)19(26)23-20-16-15(29-10-30-20)18(27-6)21(4,5)14(9-24)31-16/h12-18,20,24-25H,1,8-10H2,2-7H3,(H,23,26)/t12-,13-,14-,15+,16+,17-,18-,20-,22-/m0/s1 |
| InChIKey | OBDAALQFQJRDKI-LYFVDYBGSA-N |
| Mol Weight | 459.5 g/mol |
| Molecular Formula | C22H37NO9 |
| Exact Mass | 459.246832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HUvUkz3iFIv |
|---|---|
| Name | THEOPHEDRIN-E |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H37NO9 |
| InChI | InChI=1S/C22H37NO9/c1-11-8-22(28-7,32-13(3)12(11)2)17(25)19(26)23-20-16-15(29-10-30-20)18(27-6)21(4,5)14(9-24)31-16/h12-18,20,24-25H,1,8-10H2,2-7H3,(H,23,26)/t12-,13-,14-,15+,16+,17-,18-,20-,22-/m0/s1 |
| InChIKey | OBDAALQFQJRDKI-LYFVDYBGSA-N |
| Literature Reference Author | J.S.SIMPSON,M.J.GARSON,J.W.BLUNT,M.H.G.MUNRO,J.N.A.HOOPER |
| Literature Reference Citation | J.NAT.PROD.,63,704(2000) |
| Literature Reference DOI | 10.1021/np990431z |
| Molecular Weight | 459.537 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS25454 |