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S-TRANS-METHYLGERAMBULLONE;S-TRANS-(E)-3-(METHYLSULPHONYL)-PROPENOIC-ACID-N-METHYL-PARA-(3,7-DIMETHYL-5-OXO-2,6-OCTADIENYLOXY)-PHENETHYLAMIDE

View entire compound with spectra: 2 NMR

S-TRANS-METHYLGERAMBULLONE;S-TRANS-(E)-3-(METHYLSULPHONYL)-PROPENOIC-ACID-N-METHYL-PARA-(3,7-DIMETHYL-5-OXO-2,6-OCTADIENYLOXY)-PHENETHYLAMIDE
SpectraBase Compound ID 5OB2bxVDo2X
InChI InChI=1S/C23H31NO5S/c1-18(2)16-21(25)17-19(3)11-14-29-22-8-6-20(7-9-22)10-13-24(4)23(26)12-15-30(5,27)28/h6-9,11-12,15-16H,10,13-14,17H2,1-5H3/b15-12+,19-11-
InChIKey XBMHYRIXEUNGGG-KKPQVEQYSA-N
Mol Weight 433.56 g/mol
Molecular Formula C23H31NO5S
Exact Mass 433.192294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 526XnN8QspI
Name S-CIS-METHYLGERAMBULLONE;S-TRANS-(E)-3-(METHYLSULPHONYL)-PROPENOIC-ACID-N-METHYL-PARA-(3,7-DIMETHYL-5-OXO-2,6-OCTADIENYLOXY)-PHENETHYLAMIDE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31NO5S
InChI InChI=1S/C23H31NO5S/c1-18(2)16-21(25)17-19(3)11-14-29-22-8-6-20(7-9-22)10-13-24(4)23(26)12-15-30(5,27)28/h6-9,11-12,15-16H,10,13-14,17H2,1-5H3/b15-12+,19-11-
InChIKey XBMHYRIXEUNGGG-KKPQVEQYSA-N
Literature Reference Author H.GREGER,O.HOFER,G.ZECHNER,F.HADACEK,G.WURZ
Literature Reference Citation PHYTOCHEM.,37,1305(1994)
Literature Reference DOI 10.1016/S0031-9422(00)90403-5
Molecular Weight 433.563 g/mol
Solvent CDCl3
Source File Reference UWCS21020