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

View entire compound with spectra: 1 MS (GC)

6-Methyl-8.beta.-phenylacetylaminomethyl-13-tert-butyl-ergoline
SpectraBase Compound ID FLUnznOBY8Q
InChI InChI=1S/C28H35N3O/c1-28(2,3)21-13-23-22-10-19(15-30-26(32)11-18-8-6-5-7-9-18)17-31(4)25(22)12-20-16-29-24(14-21)27(20)23/h5-9,13-14,16,19,22,25,29H,10-12,15,17H2,1-4H3,(H,30,32)/t19-,22+,25+/m0/s1
InChIKey WHXHCWOPEALHIT-UWUFEASWSA-N
Mol Weight 429.6 g/mol
Molecular Formula C28H35N3O
Exact Mass 429.278013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97rRzjZFZht
Name 6-Methyl-8.beta.-phenylacetylaminomethyl-13-tert-butyl-ergoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35N3O
InChI InChI=1S/C28H35N3O/c1-28(2,3)21-13-23-22-10-19(15-30-26(32)11-18-8-6-5-7-9-18)17-31(4)25(22)12-20-16-29-24(14-21)27(20)23/h5-9,13-14,16,19,22,25,29H,10-12,15,17H2,1-4H3,(H,30,32)/t19-,22+,25+/m0/s1
InChIKey WHXHCWOPEALHIT-UWUFEASWSA-N
Molecular Weight 429.608 g/mol
SMILES N(C(=O)Cc1ccccc1)C[C@@]1(C[C@]2([C@@](Cc3c4c(cc(cc24)C(C)(C)C)[nH]c3)(N(C1)C)[H])[H])[H]
SPLASH splash10-0fbc-6380900000-63bd9d88a5f72f188104
Source of Spectrum EMC-32-802-18
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)-2-phenylacetamide 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]-2-phenylacetamide 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]-2-phenyl-ethanamide
Wiley ID 1734384