| SpectraBase Spectrum ID |
IZXjRZCqI9U |
| Name |
2-Methylthio-6-methyl-8.beta.-methoxycarbonyl-ergoline |
| Alternate Name(s) |
(6aR,9R,10aR)-methyl 7-methyl-5-(methylthio)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxylate
Methyl (6aR,9R,10aR)-7-methyl-5-methylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22N2O2S |
| InChI |
InChI=1S/C18H22N2O2S/c1-20-9-10(18(21)22-2)7-12-11-5-4-6-14-16(11)13(8-15(12)20)17(19-14)23-3/h4-6,10,12,15,19H,7-9H2,1-3H3/t10-,12-,15-/m1/s1 |
| InChIKey |
FXMMGSFJEXIRGD-IXPVHAAZSA-N |
| Molecular Weight |
330.446 g/mol |
| SMILES |
[nH]1c2cccc3c2c(c1SC)C[C@@]1([C@@]3(C[C@](CN1C)(C(=O)OC)[H])[H])[H] |
| SPLASH |
splash10-001i-0329000000-2f3e8a708847201ec8dd |
| Source of Spectrum |
EMC-32-800-2 |
| Wiley ID |
1734340 |
