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[1,2,5]-OXADIAZOLO-[3',4':3,4]-5-ALPHA-PREGN-16-EN-20-ONE-OXIME;HS998
SpectraBase Compound ID 7kegYtuUL2r
InChI InChI=1S/C21H29N3O2/c1-12(22-25)14-6-7-15-13-4-5-17-19-18(23-26-24-19)9-11-21(17,3)16(13)8-10-20(14,15)2/h6,13,15-17,25H,4-5,7-11H2,1-3H3/b22-12+/t13-,15-,16-,17-,20+,21+/m0/s1
InChIKey TYBBFBYDTAEPFK-IUDIBSJDSA-N
Mol Weight 355.48 g/mol
Molecular Formula C21H29N3O2
Exact Mass 355.225977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4E2KHyO8SNM
Name [1,2,5]-OXADIAZOLO-[3',4':3,4]-5-ALPHA-PREGN-16-EN-20-ONE-OXIME;HS998
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28N3O2
InChI InChI=1S/C21H29N3O2/c1-12(22-25)14-6-7-15-13-4-5-17-19-18(23-26-24-19)9-11-21(17,3)16(13)8-10-20(14,15)2/h6,13,15-17,25H,4-5,7-11H2,1-3H3/b22-12+/t13-,15-,16-,17-,20+,21+/m0/s1
InChIKey TYBBFBYDTAEPFK-IUDIBSJDSA-N
Literature Reference Author F.KAYSER,D.MAES,L.WYNS,J.LISGARTEN,R.PALMER,D.LISGARTEN,R.WI LLEM,J.C.MARTINS,P.V
Literature Reference Citation STEROIDS,60,713(1995)
Literature Reference DOI 10.1016/0039-128x(95)00096-9
Molecular Weight 354.472 g/mol
Source File Reference UWLU73895