| SpectraBase Spectrum ID |
5hubvbr6Iel |
| Name |
14-(p-Toluenesulfinyl)-3-thioxotabersonine |
| Alternate Name(s) |
Methyl (5alpha,12beta,19alpha)-7-[(4-methylphenyl)sulfanyl]-8-thioxo-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H28N2O2S2 |
| InChI |
InChI=1S/C28H28N2O2S2/c1-4-27-15-19(25(31)32-3)23-28(20-7-5-6-8-21(20)29-23)13-14-30(26(27)28)24(33)22(16-27)34-18-11-9-17(2)10-12-18/h5-12,16,26,29H,4,13-15H2,1-3H3/t26-,27+,28-/m0/s1 |
| InChIKey |
XITRBMHDLYCKMO-IARZGTGTSA-N |
| Molecular Weight |
488.664 g/mol |
| SMILES |
N1c2c([C@]34C1=C(C[C@@]1(C=C(C(N([C@]41[H])CC3)=S)Sc1ccc(cc1)C)CC)C(=O)OC)cccc2 |
| SPLASH |
splash10-004j-0890100000-bc66f0ecddced986a345 |
| Source of Spectrum |
J-58-1441-41 |
| Wiley ID |
1396904 |
