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6-Methyl-8.beta.-(2-methyl-3-thiazoyl)aminomethyl-13-tert-butyl-ergoline
SpectraBase Compound ID EEOZ5ABnvAg
InChI InChI=1S/C25H32N4OS/c1-14-23(28-13-31-14)24(30)27-10-15-6-18-19-8-17(25(2,3)4)9-20-22(19)16(11-26-20)7-21(18)29(5)12-15/h8-9,11,13,15,18,21,26H,6-7,10,12H2,1-5H3,(H,27,30)/t15-,18?,21+/m0/s1
InChIKey HVRNZVTYHVZPLQ-LMONUYQQSA-N
Mol Weight 436.6 g/mol
Molecular Formula C25H32N4OS
Exact Mass 436.229683 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CHaIkk4oa
Name 6-Methyl-8.beta.-(2-methyl-3-thiazoyl)aminomethyl-13-tert-butyl-ergoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32N4OS
InChI InChI=1S/C25H32N4OS/c1-14-23(28-13-31-14)24(30)27-10-15-6-18-19-8-17(25(2,3)4)9-20-22(19)16(11-26-20)7-21(18)29(5)12-15/h8-9,11,13,15,18,21,26H,6-7,10,12H2,1-5H3,(H,27,30)/t15-,18?,21+/m0/s1
InChIKey HVRNZVTYHVZPLQ-LMONUYQQSA-N
Molecular Weight 436.618 g/mol
SMILES N(C(c1ncsc1C)=O)C[C@@]1(CC2c3c4c(cc(c3)C(C)(C)C)[nH]cc4C[C@]2(N(C1)C)[H])[H]
SPLASH splash10-0550-8440900000-f5747c356716826031f1
Source of Spectrum EMC-32-802-24
Synonyms N-(((6aR,9S)-2-(tert-butyl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl)-5-methylthiazole-4-carboxamide
Wiley ID 1734378