| SpectraBase Spectrum ID |
AWZfcr3HPbB |
| Name |
6-Methyl-8.beta.-(1,3-dimethyl-1H-3-pyrazoyl)aminomethyl-13-tert-butyl-ergoline |
| Alternate Name(s) |
N-(((6aR,9S)-2-(tert-butyl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H35N5O |
| InChI |
InChI=1S/C26H35N5O/c1-15-7-23(31(6)29-15)25(32)28-12-16-8-19-20-10-18(26(2,3)4)11-21-24(20)17(13-27-21)9-22(19)30(5)14-16/h7,10-11,13,16,19,22,27H,8-9,12,14H2,1-6H3,(H,28,32)/t16-,19?,22+/m0/s1 |
| InChIKey |
VXDPWJIEANJWIF-STBDEFDDSA-N |
| Molecular Weight |
433.600 g/mol |
| SMILES |
N(C(c1[n](nc(c1)C)C)=O)C[C@@]1(CC2c3c4c(cc(c3)C(C)(C)C)[nH]cc4C[C@]2(N(C1)C)[H])[H] |
| SPLASH |
splash10-001i-1140900000-13bf7ddb034ec2dcac56 |
| Source of Spectrum |
EMC-32-802-23 |
| Wiley ID |
1734379 |
