![[8.beta.-(3,5-dioxo-4-phenylpiperazin-1-yl)-methyl]-6-methylergoline](/api/spectrum/S6PK7pN0qw/structure.png?h=300&w=458 "[8.beta.-(3,5-dioxo-4-phenylpiperazin-1-yl)-methyl]-6-methylergoline")
| SpectraBase Compound ID | 1cGx9oxKgBi |
|---|---|
| InChI | InChI=1S/C26H28N4O2/c1-28-13-17(10-21-20-8-5-9-22-26(20)18(12-27-22)11-23(21)28)14-29-15-24(31)30(25(32)16-29)19-6-3-2-4-7-19/h2-9,12,17,21,23,27H,10-11,13-16H2,1H3/t17-,21-,23-/m1/s1 |
| InChIKey | LBQDAWNRAVOPEP-ODOSVJCGSA-N |
| Mol Weight | 428.54 g/mol |
| Molecular Formula | C26H28N4O2 |
| Exact Mass | 428.221226 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | S6PK7pN0qw |
|---|---|
| Name | [8.beta.-(3,5-dioxo-4-phenylpiperazin-1-yl)-methyl]-6-methylergoline |
| Alternate Name(s) | 4-(((6aR,9S,10aR)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl)-1-phenylpiperazine-2,6-dione 4-[[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]-1-phenylpiperazine-2,6-dione 4-[[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]-1-phenyl-piperazine-2,6-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H28N4O2 |
| InChI | InChI=1S/C26H28N4O2/c1-28-13-17(10-21-20-8-5-9-22-26(20)18(12-27-22)11-23(21)28)14-29-15-24(31)30(25(32)16-29)19-6-3-2-4-7-19/h2-9,12,17,21,23,27H,10-11,13-16H2,1H3/t17-,21-,23-/m1/s1 |
| InChIKey | LBQDAWNRAVOPEP-ODOSVJCGSA-N |
| Molecular Weight | 428.536 g/mol |
| SMILES | [nH]1cc2C[C@]3(N(C[C@@](C[C@@]3(c3c2c1ccc3)[H])(CN1CC(N(C(C1)=O)c1ccccc1)=O)[H])C)[H] |
| SPLASH | splash10-002f-5940200000-d74d5f1b1cc438336b25 |
| Source of Spectrum | EMC-34-122-24 |
| Wiley ID | 1734504 |