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

View entire compound with spectra: 1 MS (GC)

6-Methyl-8.beta.-ethoxycarbonylaminomethyl-13-tert-butyl-ergoline
SpectraBase Compound ID 2AIHC8AoqiX
InChI InChI=1S/C23H33N3O2/c1-6-28-22(27)25-11-14-7-17-18-9-16(23(2,3)4)10-19-21(18)15(12-24-19)8-20(17)26(5)13-14/h9-10,12,14,17,20,24H,6-8,11,13H2,1-5H3,(H,25,27)/t14-,17+,20+/m0/s1
InChIKey IUFFHYGXOXUWDN-JNAXZKDPSA-N
Mol Weight 383.5 g/mol
Molecular Formula C23H33N3O2
Exact Mass 383.257277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ijr5GVWJczQ
Name 6-Methyl-8.beta.-ethoxycarbonylaminomethyl-13-tert-butyl-ergoline
Alternate Name(s) Ethyl (((6aR,9S,10aR)-2-(tert-butyl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl)carbamate Ethyl 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]carbamate
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Formula C23H33N3O2
InChI InChI=1S/C23H33N3O2/c1-6-28-22(27)25-11-14-7-17-18-9-16(23(2,3)4)10-19-21(18)15(12-24-19)8-20(17)26(5)13-14/h9-10,12,14,17,20,24H,6-8,11,13H2,1-5H3,(H,25,27)/t14-,17+,20+/m0/s1
InChIKey IUFFHYGXOXUWDN-JNAXZKDPSA-N
Molecular Weight 383.536 g/mol
SMILES N(C(=O)OCC)C[C@@]1(C[C@]2([C@@](Cc3c4c(cc(cc24)C(C)(C)C)[nH]c3)(N(C1)C)[H])[H])[H]
SPLASH splash10-001i-0059000000-e6908a796a2b735af126
Source of Spectrum EMC-32-803-25
Wiley ID 1734377