| SpectraBase Spectrum ID |
5DypurM2Erc |
| Name |
(3S, 5R, 8R)-5(10-9)abeo-1-Acetyl-2,3.beta.-dihydro-6-methyl-8.beta.-methyl-12-amino-9, 10-didehydroergoline |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H23N3O |
| InChI |
InChI=1S/C18H23N3O/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,6,8-9,19H2,1-3H3/t10-,12+,17+/m0/s1 |
| InChIKey |
SARLRCWUCAFDRK-GSDQYQHOSA-N |
| Molecular Weight |
297.402 g/mol |
| SMILES |
Nc1ccc2N(C[C@]3(C[C@@]4(C([C@@](C)(CN4C)[H])=Cc1c23)[H])[H])C(=O)C |
| SPLASH |
splash10-001j-0590000000-82b20dd7302107da8764 |
| Source of Spectrum |
EMC-33-291-b |
| Synonyms |
(3S,5R,8R)-5(10-9)abeo-1-Acetyl-2,3.beta.-dihydro-6-methyl-8.beta.-methyl-12-amino-9,10-didehydroergoline
1-((7R,9aR,10aS)-5-amino-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 |
1734493 |
