John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2DDisaVn1Go SpectraBase Spectrum ID=8AEoQjeqLzD

(accessed ).
LINOLEIC-ACID-4-O-GERANYL-SINAPYLESTER
SpectraBase Compound ID 2DDisaVn1Go
InChI InChI=1S/C39H60O5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-38(40)43-29-23-26-35-31-36(41-5)39(37(32-35)42-6)44-30-28-34(4)25-22-24-33(2)3/h11-12,14-15,23-24,26,28,31-32H,7-10,13,16-22,25,27,29-30H2,1-6H3/b12-11-,15-14-,26-23+,34-28+
InChIKey APGVHKPCMRXAPJ-VXPBKLFUSA-N
Mol Weight 608.9 g/mol
Molecular Formula C39H60O5
Exact Mass 608.444075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8AEoQjeqLzD
Name LINOLEIC-ACID-4-O-GERANYL-SINAPYLESTER
Compound Number 5
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H60O5
InChI InChI=1S/C39H60O5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-38(40)43-29-23-26-35-31-36(41-5)39(37(32-35)42-6)44-30-28-34(4)25-22-24-33(2)3/h11-12,14-15,23-24,26,28,31-32H,7-10,13,16-22,25,27,29-30H2,1-6H3/b12-11-,15-14-,26-23+,34-28+
InChIKey APGVHKPCMRXAPJ-VXPBKLFUSA-N
Literature Reference Author Y.ZHAO,Z.JIA,L.YANG
Literature Reference Citation PHYTOCHEM.,37,1149(1994)
Literature Reference DOI 10.1016/S0031-9422(00)89547-3
Molecular Weight 608.902 g/mol
Solvent CDCl3
Source File Reference UWLU24060
SpectraBase Batch ID COT5V0pscoM