John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=G4HeJa66Iux SpectraBase Spectrum ID=2a5aVAlLVc6

(accessed ).
(22-E)-DE-A,B-8-(4-NITROPHENYLSULFENYL)-OXY-24-NORCHOL-22-ENE-23-NITRILE
SpectraBase Compound ID G4HeJa66Iux
InChI InChI=1S/C21H26N2O3S/c1-15(5-4-14-22)18-11-12-19-20(6-3-13-21(18,19)2)26-27-17-9-7-16(8-10-17)23(24)25/h4-5,7-10,15,18-20H,3,6,11-13H2,1-2H3/b5-4+/t15-,18-,19+,20+,21-/m1/s1
InChIKey HJZQDCISAXKTNI-OYPNETAZSA-N
Mol Weight 386.51 g/mol
Molecular Formula C21H26N2O3S
Exact Mass 386.166415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2a5aVAlLVc6
Name (22-E)-DE-A,B-8-(4-NITROPHENYLSULFENYL)-OXY-24-NORCHOL-22-ENE-23-NITRILE
Compound Number 3C
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N2O3S
InChI InChI=1S/C21H26N2O3S/c1-15(5-4-14-22)18-11-12-19-20(6-3-13-21(18,19)2)26-27-17-9-7-16(8-10-17)23(24)25/h4-5,7-10,15,18-20H,3,6,11-13H2,1-2H3/b5-4+/t15-,18-,19+,20+,21-/m1/s1
InChIKey HJZQDCISAXKTNI-OYPNETAZSA-N
Literature Reference Author E.MOMAN,D.NICOLETTI,A.MOURINO
Literature Reference Citation ORG.LETTERS,8,1249(2006)
Literature Reference DOI 10.1021/ol060231w
Molecular Weight 386.509 g/mol
Sample ID 39988
Solvent CDCl3
SpectraBase Batch ID 6BspAp292Ko