| SpectraBase Spectrum ID |
ozHZgJvl6e |
| Name |
(3S, 5R, 8R)-5(10-9)abeo-2,3.beta.-Dihydro-6-methyl-8.beta.-methyl-12-nitro-9, 10-didehydroergoline |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19N3O2 |
| InChI |
InChI=1S/C16H19N3O2/c1-9-8-18(2)15-5-10-7-17-13-3-4-14(19(20)21)12(16(10)13)6-11(9)15/h3-4,6,9-10,15,17H,5,7-8H2,1-2H3/t9-,10+,15+/m0/s1 |
| InChIKey |
QKNLBPIQNQPDPS-FEUHOPSXSA-N |
| Molecular Weight |
285.347 g/mol |
| SMILES |
N1c2ccc(c3C=C4[C@@](C[C@](C1)(c23)[H])(N(C[C@@]4(C)[H])C)[H])N(=O)=O |
| SPLASH |
splash10-01p9-2690000000-366bb198ea3c81f4ac2a |
| Source of Spectrum |
EMC-33-291-25 |
| Synonyms |
(3S,5R,8R)-5(10-9)abeo-2,3.beta.-Dihydro-6-methyl-8.beta.-methyl-12-nitro-9,10-didehydroergoline
(7R,9aR,10aS)-7,9-dimethyl-5-nitro-1,2,7,8,9,9a,10,10a-octahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indole |
| Wiley ID |
1734494 |
