For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

6-Methyl-8.beta.-isonicotinoylaminomethyl-13-tert-butyl-ergoline

View entire compound with spectra: 1 MS (GC)

6-Methyl-8.beta.-isonicotinoylaminomethyl-13-tert-butyl-ergoline
SpectraBase Compound ID 7jMZZ3JfCis
InChI InChI=1S/C26H32N4O/c1-26(2,3)19-11-21-20-9-16(13-29-25(31)17-5-7-27-8-6-17)15-30(4)23(20)10-18-14-28-22(12-19)24(18)21/h5-8,11-12,14,16,20,23,28H,9-10,13,15H2,1-4H3,(H,29,31)/t16-,20+,23+/m0/s1
InChIKey BXASAUJWKULNRU-LERMDLETSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H32N4O
Exact Mass 416.257612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HsoWYBlB4x0
Name 6-Methyl-8.beta.-isonicotinoylaminomethyl-13-tert-butyl-ergoline
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32N4O
InChI InChI=1S/C26H32N4O/c1-26(2,3)19-11-21-20-9-16(13-29-25(31)17-5-7-27-8-6-17)15-30(4)23(20)10-18-14-28-22(12-19)24(18)21/h5-8,11-12,14,16,20,23,28H,9-10,13,15H2,1-4H3,(H,29,31)/t16-,20+,23+/m0/s1
InChIKey BXASAUJWKULNRU-LERMDLETSA-N
Molecular Weight 416.569 g/mol
SMILES N(C(=O)c1ccncc1)C[C@@]1(C[C@]2([C@@](Cc3c4c(cc(cc24)C(C)(C)C)[nH]c3)(N(C1)C)[H])[H])[H]
SPLASH splash10-01b9-3073900000-4d98cc738ee3914fc974
Source of Spectrum EMC-32-802-20
Synonyms 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)isonicotinamide 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]-4-pyridinecarboxamide 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]pyridine-4-carboxamide
Wiley ID 1734382