| SpectraBase Spectrum ID |
LV2S8Vs8spm |
| Name |
6-Methyl-8.beta.-(1-adamantyl)carbonylaminomethyl-13-tert-butyl-ergoline |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H43N3O |
| InChI |
InChI=1S/C31H43N3O/c1-30(2,3)23-10-25-24-8-21(17-34(4)27(24)9-22-16-32-26(11-23)28(22)25)15-33-29(35)31-12-18-5-19(13-31)7-20(6-18)14-31/h10-11,16,18-21,24,27,32H,5-9,12-15,17H2,1-4H3,(H,33,35)/t18-,19+,20-,21-,24+,27+,31-/m0/s1 |
| InChIKey |
WBAXTSXGDIOAOA-UBJROZLJSA-N |
| Molecular Weight |
473.705 g/mol |
| SMILES |
N(C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)C[C@@]1(C[C@]2([C@@](Cc3c4c(cc(cc24)C(C)(C)C)[nH]c3)(N(C1)C)[H])[H])[H] |
| SPLASH |
splash10-00di-0220900000-6656b85b2597d32a16de |
| Source of Spectrum |
EMC-32-802-17 |
| Synonyms |
(3R,5R)-N-(((6aR,9S,10aR)-2-(tert-butyl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl)adamantane-1-carboxamide
N-[[(6aR,9S,10aR)-2-tert-butyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]-1-adamantanecarboxamide |
| Wiley ID |
1734385 |
