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NELUMOL-B;4-O-[(2E)-3,7-DIMETHYL-2,7-OCTADIEN-5-OL]-SINAPYL-ALCOHOL
SpectraBase Compound ID 8kzKXuPX9x4
InChI InChI=1S/C21H30O5/c1-15(2)11-18(23)12-16(3)8-10-26-21-19(24-4)13-17(7-6-9-22)14-20(21)25-5/h6-8,13-14,18,22-23H,1,9-12H2,2-5H3/b7-6+,16-8+
InChIKey PIRMSMJKOZAZOF-QICXOPSUSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ghUnKYEU9t
Name NELUMOL-B;4-O-[(2E)-3,7-DIMETHYL-2,7-OCTADIEN-5-OL]-SINAPYL-ALCOHOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-15(2)11-18(23)12-16(3)8-10-26-21-19(24-4)13-17(7-6-9-22)14-20(21)25-5/h6-8,13-14,18,22-23H,1,9-12H2,2-5H3/b7-6+,16-8+
InChIKey PIRMSMJKOZAZOF-QICXOPSUSA-N
Literature Reference Author Y.ZHAO,X.HAO,W.LU,J.CAI,H.YU,T.SEVENET,F.GUERITTE
Literature Reference Citation J.NAT.PROD.,65,902(2002)
Literature Reference DOI 10.1021/np0200257
Molecular Weight 362.466 g/mol
Solvent CDCl3
Source File Reference UWSI6078