| SpectraBase Spectrum ID |
BAFKL63zbeY |
| Name |
(5R, 8R)-5(l0-9)abeo-2-Thiomethyl-6-methyl-8.beta.-methyl-9,10-didehydroergoline |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20N2S |
| InChI |
InChI=1S/C17H20N2S/c1-10-9-19(2)15-8-13-16-11(7-12(10)15)5-4-6-14(16)18-17(13)20-3/h4-7,10,15,18H,8-9H2,1-3H3/t10-,15+/m0/s1 |
| InChIKey |
IDAYEBRBXADGGE-ZUZCIYMTSA-N |
| Molecular Weight |
284.421 g/mol |
| SMILES |
[nH]1c2c3c(c1SC)C[C@@]1(C(=Cc3ccc2)[C@](CN1C)(C)[H])[H] |
| SPLASH |
splash10-00lr-0090000000-436e31ea07f63eaceac8 |
| Source of Spectrum |
EMC-33-290-19 |
| Synonyms |
(5R,8R)-5(10-9)abeo-2-Thiomethyl-6-methyl-8.beta.-methyl-9,10-didehydroergoline
(7R,9aR)-7,9-dimethyl-1-(methylthio)-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indole |
| Wiley ID |
1734454 |
