| SpectraBase Spectrum ID |
2SHA0fT31E |
| Name |
3-Thioxotabersonine |
| Alternate Name(s) |
Methyl (5alpha,12beta,19alpha)-8-thioxo-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22N2O2S |
| InChI |
InChI=1S/C21H22N2O2S/c1-3-20-9-8-16(26)23-11-10-21(19(20)23)14-6-4-5-7-15(14)22-17(21)13(12-20)18(24)25-2/h4-9,19,22H,3,10-12H2,1-2H3/t19-,20-,21-/m0/s1 |
| InChIKey |
IFIDSSUWGBZCSV-ACRUOGEOSA-N |
| Molecular Weight |
366.479 g/mol |
| SMILES |
N1c2c([C@]34C1=C(C[C@]1([C@@]4(N(C(C=C1)=S)CC3)[H])CC)C(=O)OC)cccc2 |
| SPLASH |
splash10-00os-0950000000-7c59fb50c96686125275 |
| Source of Spectrum |
J-58-1441-40 |
| Wiley ID |
1352017 |
