| SpectraBase Spectrum ID |
5YlZf3x2O9g |
| Name |
6-Methyl-8.beta.-benzoyloxymethyl-13-tert-butyl-ergoline |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H32N2O2 |
| InChI |
InChI=1S/C27H32N2O2/c1-27(2,3)20-12-22-21-10-17(16-31-26(30)18-8-6-5-7-9-18)15-29(4)24(21)11-19-14-28-23(13-20)25(19)22/h5-9,12-14,17,21,24,28H,10-11,15-16H2,1-4H3/t17-,21-,24-/m1/s1 |
| InChIKey |
JRFGDQUTOUWCOZ-NYQDVAGCSA-N |
| Molecular Weight |
416.565 g/mol |
| SMILES |
[nH]1cc2c3c1cc(cc3[C@@]1([C@@](C2)(N(C[C@@](C1)(COC(=O)c1ccccc1)[H])C)[H])[H])C(C)(C)C |
| SPLASH |
splash10-0690-5930800000-eed7c0246ca64d8d2cea |
| Source of Spectrum |
EMC-32-801-10 |
| Synonyms |
((6aR,9R,10aR)-2-(tert-butyl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl benzoate
[(6aR,9R,10aR)-2-tert-butyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl benzoate |
| Wiley ID |
1734307 |
