| SpectraBase Spectrum ID |
9X1jQdoyXSi |
| Name |
(5S,8R)-5(10-9)abeo-6-Methyl-8.beta.-iodomethyl-9,10-didehydroergoline |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H17IN2 |
| InChI |
InChI=1S/C16H17IN2/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 |
FVNZIQIOIKOUJX-WFASDCNBSA-N |
| Molecular Weight |
364.230 g/mol |
| SMILES |
[nH]1cc2C[C@]3(C(=Cc4c2c1ccc4)[C@](CN3C)(CI)[H])[H] |
| SPLASH |
splash10-004u-0950000000-41c5f8e38429ab0a8867 |
| Source of Spectrum |
H1-45-1502-13 |
| Synonyms |
(7R,9aS)-7-(iodomethyl)-9-methyl-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indole |
| Wiley ID |
815797 |
