| SpectraBase Compound ID | 9CAiUYoftju |
|---|---|
| InChI | InChI=1S/C23H27N3O3/c1-4-13-9-14-11-23(22(27)29-3)20-17(7-8-26(21(13)23)19(14)12-24)16-6-5-15(28-2)10-18(16)25-20/h5-6,10,13-14,19,21,25H,4,7-9,11H2,1-3H3/t13-,14-,19-,21-,23+/m0/s1 |
| InChIKey | DBNUMCZFTYVJMM-LECAQMOUSA-N |
| Mol Weight | 393.49 g/mol |
| Molecular Formula | C23H27N3O3 |
| Exact Mass | 393.205242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3MPIKj4ssV3 |
|---|---|
| Name | (3S)-3-CYANOISOVOACANGINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H27N3O3 |
| InChI | InChI=1S/C23H27N3O3/c1-4-13-9-14-11-23(22(27)29-3)20-17(7-8-26(21(13)23)19(14)12-24)16-6-5-15(28-2)10-18(16)25-20/h5-6,10,13-14,19,21,25H,4,7-9,11H2,1-3H3/t13-,14-,19-,21-,23+/m0/s1 |
| InChIKey | DBNUMCZFTYVJMM-LECAQMOUSA-N |
| Literature Reference Author | T.S.KAM,H.S.PANG,Y.M.CHOO,K.KOMIYAMA |
| Literature Reference Citation | CHEM.BIODIV.,1,646(2004) |
| Literature Reference DOI | 10.1002/cbdv.200490056 |
| Molecular Weight | 393.486 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21648 |