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REL-[[(3AS,6S,6AR)-6A-METHYL-(1R,2S)-2-(2-PHENYLCYCLOHEXYL)-OXY]-3,3A,4,5,6-PENTAHYDROCYCLOPENTA-[D]-PYRROL-6-YL-N-OXIDE]-(2S)-HYDROXY-ACETIC-ACI

View entire compound with spectra: 1 NMR

REL-[[(3AS,6S,6AR)-6A-METHYL-(1R,2S)-2-(2-PHENYLCYCLOHEXYL)-OXY]-3,3A,4,5,6-PENTAHYDROCYCLOPENTA-[D]-PYRROL-6-YL-N-OXIDE]-(2S)-HYDROXY-ACETIC-ACI
SpectraBase Compound ID GqMn4CGlXOe
InChI InChI=1S/C23H31NO5/c1-23-16(12-13-18(23)21(25)22(26)28-2)14-20(24(23)27)29-19-11-7-6-10-17(19)15-8-4-3-5-9-15/h3-5,8-9,16-19,21,25H,6-7,10-14H2,1-2H3/t16-,17+,18+,19-,21-,23+/m0/s1
InChIKey XSENCDBYXMYMAB-UFMMEHHESA-N
Mol Weight 401.5 g/mol
Molecular Formula C23H31NO5
Exact Mass 401.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Du9w1KKmnL3
Name REL-[[(3AS,6S,6AR)-6A-METHYL-(1R,2S)-2-(2-PHENYLCYCLOHEXYL)-OXY]-3,3A,4,5,6-PENTAHYDROCYCLOPENTA-[D]-PYRROL-6-YL-N-OXIDE]-(2S)-HYDROXY-ACETIC-ACI
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31NO5
InChI InChI=1S/C23H31NO5/c1-23-16(12-13-18(23)21(25)22(26)28-2)14-20(24(23)27)29-19-11-7-6-10-17(19)15-8-4-3-5-9-15/h3-5,8-9,16-19,21,25H,6-7,10-14H2,1-2H3/t16-,17+,18+,19-,21-,23+/m0/s1
InChIKey XSENCDBYXMYMAB-UFMMEHHESA-N
Literature Reference Author S.E.DENMARK,V.GUAGNANO,J.VAUGEOIS
Literature Reference Citation CAN.J.CHEM.,79,1606(2001)
Literature Reference DOI 10.1139/cjc-79-11-1606
Molecular Weight 401.503 g/mol
Solvent CDCl3