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2-(3-OXOPREGN-4-ENE-17-BETA-YL)-QUINOXALINE
SpectraBase Compound ID AvDcl5k5kFb
InChI InChI=1S/C27H32N2O/c1-26-13-11-18(30)15-17(26)7-8-19-20-9-10-22(27(20,2)14-12-21(19)26)25-16-28-23-5-3-4-6-24(23)29-25/h3-6,15-16,19-22H,7-14H2,1-2H3/t19-,20-,21-,22+,26-,27-/m0/s1
InChIKey JLEXQMMEBIYIDJ-SATFXIDDSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H32N2O
Exact Mass 400.251464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ONFxIIvrKK
Name 2-(3-OXOPREGN-4-ENE-17-BETA-YL)-QUINOXALINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32N2O
InChI InChI=1S/C27H32N2O/c1-26-13-11-18(30)15-17(26)7-8-19-20-9-10-22(27(20,2)14-12-21(19)26)25-16-28-23-5-3-4-6-24(23)29-25/h3-6,15-16,19-22H,7-14H2,1-2H3/t19-,20-,21-,22+,26-,27-/m0/s1
InChIKey JLEXQMMEBIYIDJ-SATFXIDDSA-N
Literature Reference Author H.TOKUNAGA,M.TANNO,T.KIMURA
Literature Reference Citation CHEM.PHARM.BULL.,35,1118(1987)
Literature Reference DOI 10.1248/cpb.35.1118
Molecular Weight 400.564 g/mol
Solvent CDCl3
Source File Reference UWBK1140