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GERAMBULLOL;(E)-3-(METHYLSULFONYL)-PROPENOIC-ACID-(2E,6E)-4-(8-HYDROXY-3,7-DIMETHYL-2,6-OCTADIENYLOXY)-PHENETHYL-AMIDE
SpectraBase Compound ID G1j2dgLHYzG
InChI InChI=1S/C22H31NO5S/c1-18(5-4-6-19(2)17-24)12-15-28-21-9-7-20(8-10-21)11-14-23-22(25)13-16-29(3,26)27/h6-10,12-13,16,24H,4-5,11,14-15,17H2,1-3H3,(H,23,25)/b16-13+,18-12+,19-6+
InChIKey OIPUYBHQDRXDMA-XMSDZGCQSA-N
Mol Weight 421.55 g/mol
Molecular Formula C22H31NO5S
Exact Mass 421.192294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5W2BhH5LtAR
Name GERAMBULLOL;(E)-3-(METHYLSULFONYL)-PROPENOIC-ACID-(2E,6E)-4-(8-HYDROXY-3,7-DIMETHYL-2,6-OCTADIENYLOXY)-PHENETHYL-AMIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31NO5S
InChI InChI=1S/C22H31NO5S/c1-18(5-4-6-19(2)17-24)12-15-28-21-9-7-20(8-10-21)11-14-23-22(25)13-16-29(3,26)27/h6-10,12-13,16,24H,4-5,11,14-15,17H2,1-3H3,(H,23,25)/b16-13+,18-12+,19-6+
InChIKey OIPUYBHQDRXDMA-XMSDZGCQSA-N
Literature Reference Author O.HOFER,H.GREGER,B.LUKASEDER,S.VAJRODAYA,M.BACHER
Literature Reference Citation PHYTOCHEM.,54,207(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00011-X
Molecular Weight 421.552 g/mol
Solvent Unknown
Source File Reference UWLU1247