| SpectraBase Spectrum ID |
52oD9EPkaDQ |
| Name |
(38, 5R, 8R)-5(10-9)abeo-1 -acetyl-2,3.beta.-dihydro-6-methyl-8.beta.-methyl-12-bromo-9,10-didehydroergoline |
| Alternate Name(s) |
(3S,5R,8R)-5(10-9)abeo-1-acetyl-2,3.beta.-dihydro-6-methyl-8.beta.-methyl-12-bromo-9,10-didehydroergoline
1-((7R,9aR,10aS)-5-bromo-7,9-dimethyl-7,8,9,9a,10,10a-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indol-2(1H)-yl)ethanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H21BrN2O |
| InChI |
InChI=1S/C18H21BrN2O/c1-10-8-20(3)17-6-12-9-21(11(2)22)16-5-4-15(19)14(18(12)16)7-13(10)17/h4-5,7,10,12,17H,6,8-9H2,1-3H3/t10-,12+,17+/m0/s1 |
| InChIKey |
XJAJCGBCUPJNTH-GSDQYQHOSA-N |
| Molecular Weight |
361.283 g/mol |
| SMILES |
c12N(C[C@]3(C[C@@]4(C(=Cc(c23)c(cc1)Br)[C@](CN4C)(C)[H])[H])[H])C(=O)C |
| SPLASH |
splash10-0002-0209000000-77b6bba04415a8384c20 |
| Source of Spectrum |
EMC-33-292-d |
| Wiley ID |
1734490 |
