| SpectraBase Spectrum ID |
3OQaNm1ILBZ |
| Name |
(3S, 5R, 8R)-5(10-9)abeo-1-Acetyl-2,3.beta.-Dihydro-6-methyl-8.beta.-methyl-9, 10-didehydroergoline |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22N2O |
| InChI |
InChI=1S/C18H22N2O/c1-11-9-19(3)17-8-14-10-20(12(2)21)16-6-4-5-13(18(14)16)7-15(11)17/h4-7,11,14,17H,8-10H2,1-3H3/t11-,14+,17+/m0/s1 |
| InChIKey |
JDSYGKPMXZYAPQ-FABXCBLPSA-N |
| Molecular Weight |
282.387 g/mol |
| SMILES |
c12N(C[C@]3(C[C@@]4(C(=Cc(c23)ccc1)[C@](CN4C)(C)[H])[H])[H])C(=O)C |
| SPLASH |
splash10-0159-1590000000-3c52fa6dea6b843248a5 |
| Source of Spectrum |
EMC-33-291-24 |
| Synonyms |
(3S,5R,8R)-5(10-9)abeo-1-Acetyl-2,3.beta.-Dihydro-6-methyl-8.beta.-methyl-9,10-didehydroergoline
1-((7R,9aR,10aS)-7,9-dimethyl-7,8,9,9a,10,10a-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indol-2(1H)-yl)ethanone |
| Wiley ID |
1734495 |
