| SpectraBase Spectrum ID |
173SuHqICY7 |
| Name |
3-Oxotabersonine |
| Alternate Name(s) |
Methyl 8-oxo-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22N2O3 |
| InChI |
InChI=1S/C21H22N2O3/c1-3-20-9-8-16(24)23-11-10-21(19(20)23)14-6-4-5-7-15(14)22-17(21)13(12-20)18(25)26-2/h4-9,19,22H,3,10-12H2,1-2H3 |
| InChIKey |
GQTPVPFEACGBJK-UHFFFAOYSA-N |
| Molecular Weight |
350.418 g/mol |
| SMILES |
N1c2c(C34C1=C(CC1(C4N(C(C=C1)=O)CC3)CC)C(=O)OC)cccc2 |
| SPLASH |
splash10-004j-0890000000-f1d3c224a384a2b3d95a |
| Source of Spectrum |
J-58-1441-42 |
| Wiley ID |
1342098 |
