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

*Links on SpectraBase are not permalinks.
6-Methyl-8.beta.-(.beta.-dimethylpropionyl)aminomethyl-13-tert-butyl-ergoline
SpectraBase Compound ID GoXKES0GBAV
InChI InChI=1S/C25H37N3O/c1-15(2)7-23(29)27-12-16-8-19-20-10-18(25(3,4)5)11-21-24(20)17(13-26-21)9-22(19)28(6)14-16/h10-11,13,15-16,19,22,26H,7-9,12,14H2,1-6H3,(H,27,29)/t16-,19?,22?/m0/s1
InChIKey MSOJGTMQARMSSL-XQQGARBVSA-N
Mol Weight 395.6 g/mol
Molecular Formula C25H37N3O
Exact Mass 395.293663 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 K2t90jimpta
Name 6-Methyl-8.beta.-(.beta.-dimethylpropionyl)aminomethyl-13-tert-butyl-ergoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37N3O
InChI InChI=1S/C25H37N3O/c1-15(2)7-23(29)27-12-16-8-19-20-10-18(25(3,4)5)11-21-24(20)17(13-26-21)9-22(19)28(6)14-16/h10-11,13,15-16,19,22,26H,7-9,12,14H2,1-6H3,(H,27,29)/t16-,19?,22?/m0/s1
InChIKey MSOJGTMQARMSSL-XQQGARBVSA-N
Molecular Weight 395.591 g/mol
SMILES N(C(CC(C)C)=O)C[C@]1(CN(C2C(c3c4c(cc(c3)C(C)(C)C)[nH]cc4C2)C1)C)[H]
SPLASH splash10-0002-2149000000-1fb21a2a840de8ea7945
Source of Spectrum EMC-32-801-15
Synonyms N-(((9S)-2-(tert-butyl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl)-3-methylbutanamide
Wiley ID 1734387