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Carbamic acid, [(8.alpha.)-6-methylergolin-8-yl]-, 1,1-dimethylethyl ester
SpectraBase Compound ID F0yRWStevnZ
InChI InChI=1S/C20H27N3O2/c1-20(2,3)25-19(24)22-13-9-15-14-6-5-7-16-18(14)12(10-21-16)8-17(15)23(4)11-13/h5-7,10,13,15,17,21H,8-9,11H2,1-4H3,(H,22,24)/t13-,15+,17+/m0/s1
InChIKey BVHJLUXTPQILHK-YSVLISHTSA-N
Mol Weight 341.45 g/mol
Molecular Formula C20H27N3O2
Exact Mass 341.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gpSlWm4sLJ
Name Carbamic acid, [(8.alpha.)-6-methylergolin-8-yl]-, 1,1-dimethylethyl ester
CAS Registry Number 107672-87-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27N3O2
InChI InChI=1S/C20H27N3O2/c1-20(2,3)25-19(24)22-13-9-15-14-6-5-7-16-18(14)12(10-21-16)8-17(15)23(4)11-13/h5-7,10,13,15,17,21H,8-9,11H2,1-4H3,(H,22,24)/t13-,15+,17+/m0/s1
InChIKey BVHJLUXTPQILHK-YSVLISHTSA-N
Molecular Weight 341.455 g/mol
SMILES [nH]1c2c3c([C@@]4([C@](N(C[C@@](NC(OC(C)(C)C)=O)(C4)[H])C)(Cc3c1)[H])[H])ccc2
SPLASH splash10-00di-0091000000-114269ed600adcceead9
Source of Spectrum H-69-248-4
Synonyms Ergoline, carbamic acid deriv. Indolo[4,3-fg]quinoline, carbamic acid deriv. (5R,8S,10R)-8-(tert-butoxycarbonylamino)-6-methylrrgoline tert-Butyl (8alpha)-6-methylergolin-8-ylcarbamate
Wiley ID 1336034