| SpectraBase Spectrum ID |
1fyJEFAv6Eu |
| Name |
(5R,8R)-5(10-9)abeo-6-Methyl-8.beta.-chloromethyl-9,10-didehydroergoline |
| Alternate Name(s) |
(7R,9aR)-7-(chloromethyl)-9-methyl-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indole |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H17ClN2 |
| InChI |
InChI=1S/C16H17ClN2/c1-19-9-12(7-17)13-5-10-3-2-4-14-16(10)11(8-18-14)6-15(13)19/h2-5,8,12,15,18H,6-7,9H2,1H3/t12-,15+/m0/s1 |
| InChIKey |
WXSVPPVHAQPQBH-SWLSCSKDSA-N |
| Molecular Weight |
272.779 g/mol |
| SMILES |
[nH]1cc2C[C@@]3(C(=Cc4c2c1ccc4)[C@](CN3C)(CCl)[H])[H] |
| SPLASH |
splash10-00di-0390000000-fd0ac37358f314fc2389 |
| Source of Spectrum |
H1-45-1502-12 |
| Wiley ID |
815798 |
