| SpectraBase Compound ID | 7kUKLg8Ftqp |
|---|---|
| InChI | InChI=1S/C22H28N2O4/c1-4-12-9-13-11-22(21(26)28-3)18-15(7-8-24(19(12)22)20(13)25)16-10-14(27-2)5-6-17(16)23-18/h5-6,10,12-13,19-20,23,25H,4,7-9,11H2,1-3H3/t12-,13+,19-,20-,22+/m0/s1 |
| InChIKey | KKXUQVVFJINTEP-BPDNQEFJSA-N |
| Mol Weight | 384.48 g/mol |
| Molecular Formula | C22H28N2O4 |
| Exact Mass | 384.204907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7Lg7BBKlMo |
|---|---|
| Name | (S)-3-HYDROXYVOACANGINE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28N2O4 |
| InChI | InChI=1S/C22H28N2O4/c1-4-12-9-13-11-22(21(26)28-3)18-15(7-8-24(19(12)22)20(13)25)16-10-14(27-2)5-6-17(16)23-18/h5-6,10,12-13,19-20,23,25H,4,7-9,11H2,1-3H3/t12-,13+,19-,20-,22+/m0/s1 |
| InChIKey | KKXUQVVFJINTEP-BPDNQEFJSA-N |
| Literature Reference Author | A.MADINAVEITIA,M.REINA,G.DELAFUENTE,A.G.GONZALEZ,E.VALENCIA |
| Literature Reference Citation | J.NAT.PROD.,59,185(1996) |
| Literature Reference DOI | 10.1021/np960049b |
| Molecular Weight | 384.475 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP2615 |