| SpectraBase Spectrum ID |
If9LkmxyL8P |
| Name |
(3S, 5R, 8R)-5(10->9)abeo-2,3.beta.-Dihydro-6-methyl-8.beta.-methyl-12-bromo-9, I10-didehydroergoline |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19BrN2 |
| InChI |
InChI=1S/C16H19BrN2/c1-9-8-19(2)15-5-10-7-18-14-4-3-13(17)12(16(10)14)6-11(9)15/h3-4,6,9-10,15,18H,5,7-8H2,1-2H3/t9-,10+,15+/m0/s1 |
| InChIKey |
KHCZFAZMLOYGKV-FEUHOPSXSA-N |
| Molecular Weight |
319.246 g/mol |
| SMILES |
N1c2c3c(C=C4[C@@](C[C@@]3(C1)[H])(N(C[C@@]4(C)[H])C)[H])c(cc2)Br |
| SPLASH |
splash10-0pvi-0209000000-90c567b339acbbbfe84a |
| Source of Spectrum |
EMC-33-292-27 |
| Synonyms |
(3S,5R,8R)-5(10-9)abeo-2,3.beta.-Dihydro-6-methyl-8.beta.-methyl-12-bromo-9,10-didehydroergoline
(7R,9aR,10aS)-5-bromo-7,9-dimethyl-1,2,7,8,9,9a,10,10a-octahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indole |
| Wiley ID |
1734489 |
