| SpectraBase Compound ID | AaKlTcp5SET |
|---|---|
| InChI | InChI=1S/C20H22N2O3/c1-12(23)22-17-11-13-5-8-21-9-7-19(17,20(21)14(13)6-10-25-20)15-3-2-4-16(24)18(15)22/h2-4,6,13,17,24H,5,7-11H2,1H3/t13?,17?,19-,20+/m1/s1 |
| InChIKey | FPEWLKWWYJYGBX-ZOWGTSHOSA-N |
| Mol Weight | 338.41 g/mol |
| Molecular Formula | C20H22N2O3 |
| Exact Mass | 338.163043 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ba3p3V9Ltl3 |
|---|---|
| Name | Geissospermidine |
| Appearance | Crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22N2O3 |
| InChI | InChI=1S/C20H22N2O3/c1-12(23)22-17-11-13-5-8-21-9-7-19(17,20(21)14(13)6-10-25-20)15-3-2-4-16(24)18(15)22/h2-4,6,13,17,24H,5,7-11H2,1H3/t13?,17?,19-,20+/m1/s1 |
| InChIKey | FPEWLKWWYJYGBX-ZOWGTSHOSA-N |
| Instrument Name | VG-Micromass ZAB 2F |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np300067m |
| Molecular Weight | 338.407 g/mol |
| Optical Rotation | [a]D25 = +107.9 (c = 0,14, CHCl3) |
| Reported Formula | C20H22N2O3 |
| SMILES | Oc1cccc2c1N(C(C)=O)C1[C@]22[C@]34C(C(C1)CCN4CC2)=CCO3 |
| SPLASH | splash10-06rj-1902000000-9402bc1c71b8d21a3690 |
| Source of Spectrum | G4-75-933-5 |
| Wiley ID | 1854799 |