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(22-S)-DE-A,B-18,22-CYCLO-8-HYDROXY-23-(4-NITROPHENYLSULFENYL)-24-NORCHOLAN-23-NITRILE;EPIMER-A
SpectraBase Compound ID IyB6s0obvwG
InChI InChI=1S/C21H26N2O3S/c1-13-16(11-21-10-2-3-19(24)18(21)9-8-17(13)21)20(12-22)27-15-6-4-14(5-7-15)23(25)26/h4-7,13,16-20,24H,2-3,8-11H2,1H3/t13-,16+,17-,18+,19+,20?,21+/m1/s1
InChIKey CVLDVBWRIXYLIQ-SPQRJLTBSA-N
Mol Weight 386.51 g/mol
Molecular Formula C21H26N2O3S
Exact Mass 386.166414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38xTa7c6bev
Name (22-S)-DE-A,B-18,22-CYCLO-8-HYDROXY-23-(4-NITROPHENYLSULFENYL)-24-NORCHOLAN-23-NITRILE;EPIMER-A
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N2O3S
InChI InChI=1S/C21H26N2O3S/c1-13-16(11-21-10-2-3-19(24)18(21)9-8-17(13)21)20(12-22)27-15-6-4-14(5-7-15)23(25)26/h4-7,13,16-20,24H,2-3,8-11H2,1H3/t13-,16+,17-,18+,19+,20?,21+/m1/s1
InChIKey CVLDVBWRIXYLIQ-SPQRJLTBSA-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 40000
Solvent CDCl3