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A-HOMO-6-AZA-3-CHLOLESTEN-5,6A-DIONE
SpectraBase Compound ID Eo1cT8ahcG8
InChI InChI=1S/C27H43NO2/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(30)28-24(29)11-6-7-15-27(28,5)23(20)14-16-26(21,22)4/h6,11,18-23H,7-10,12-17H2,1-5H3/t19-,20+,21-,22+,23+,26-,27-/m1/s1
InChIKey UPSYLOLVKJIAJC-VHHOZFFRSA-N
Mol Weight 413.6 g/mol
Molecular Formula C27H43NO2
Exact Mass 413.32938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HJGVYsc3lv6
Name A-HOMO-6-AZA-3-CHLOLESTEN-5,6A-DIONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H43NO2
InChI InChI=1S/C27H43NO2/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(30)28-24(29)11-6-7-15-27(28,5)23(20)14-16-26(21,22)4/h6,11,18-23H,7-10,12-17H2,1-5H3/t19-,20+,21-,22+,23+,26-,27-/m1/s1
InChIKey UPSYLOLVKJIAJC-VHHOZFFRSA-N
Literature Reference Author H.PENG,W.XIE,D.M.OTTERNESS,J.P.COGSWELL,R.T.M.CONNELL,H.L.CA RTER,G.POWIS,R.T.ABR
Literature Reference Citation J.MED.CHEM.,44,834(2001)
Literature Reference DOI 10.1021/jm0004401
Molecular Weight 413.644 g/mol
Sample ID 40872
Solvent CDCl3