| SpectraBase Compound ID | 9oifVFzgJbX |
|---|---|
| InChI | InChI=1S/C16H16N2/c1-10-9-18(2)15-7-12-8-17-14-5-3-4-11(16(12)14)6-13(10)15/h3-6,8,15,17H,1,7,9H2,2H3/t15-/m0/s1 |
| InChIKey | BTDZISNXHMWHRL-HNNXBMFYSA-N |
| Mol Weight | 236.32 g/mol |
| Molecular Formula | C16H16N2 |
| Exact Mass | 236.131349 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4BxbJJztBsV |
|---|---|
| Name | (5S)-5(10-9)abeo-6-Methyl-8-methyene-9,10-didehydroergoline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H16N2 |
| InChI | InChI=1S/C16H16N2/c1-10-9-18(2)15-7-12-8-17-14-5-3-4-11(16(12)14)6-13(10)15/h3-6,8,15,17H,1,7,9H2,2H3/t15-/m0/s1 |
| InChIKey | BTDZISNXHMWHRL-HNNXBMFYSA-N |
| Molecular Weight | 236.318 g/mol |
| SMILES | [nH]1cc2C[C@]3(C(=Cc4c2c1ccc4)C(CN3C)=C)[H] |
| SPLASH | splash10-000i-0590000000-037924afae3c923a6b5f |
| Source of Spectrum | H1-45-1502-15 |
| Synonyms | (5S)-5(10-9)-abeo-6-Methyl-8-methylene-9,10-didehydroergoline (5S,8R)-5(10-9)abeo-6-Methyl-8-methyene-9,10-didehydroergoline (9aS)-9-methyl-7-methylene-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indole (5S)-5(10-9)-abeo-6-Methyl-8-methylene-9,10-didehydroergooline (S)-9-methyl-7-methylene-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indole |
| Wiley ID | 815795 |