For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-[(2E,6E,10E)-11-CARBOXY-3,7,15-TRIMETHYL-2,6,10,14-HEXADECATETRAENYL]-4,5-DIHYDROXYBENZOIC-ACID
SpectraBase Compound ID E1mmRnpi7AV
InChI InChI=1S/C27H36O6/c1-18(2)8-5-12-21(26(30)31)13-7-11-19(3)9-6-10-20(4)14-15-22-16-23(27(32)33)17-24(28)25(22)29/h8-9,13-14,16-17,28-29H,5-7,10-12,15H2,1-4H3,(H,30,31)(H,32,33)/b19-9+,20-14+,21-13+
InChIKey IGCAVCQVYYCKOV-HBZGUYFNSA-N
Mol Weight 456.6 g/mol
Molecular Formula C27H36O6
Exact Mass 456.251189 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 FwW2p7eVqOZ
Name 3-[(2E,6E,10E)-11-CARBOXY-3,7,15-TRIMETHYL-2,6,10,14-HEXADECATETRAENYL]-4,5-DIHYDROXYBENZOIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36O6
InChI InChI=1S/C27H36O6/c1-18(2)8-5-12-21(26(30)31)13-7-11-19(3)9-6-10-20(4)14-15-22-16-23(27(32)33)17-24(28)25(22)29/h8-9,13-14,16-17,28-29H,5-7,10-12,15H2,1-4H3,(H,30,31)(H,32,33)/b19-9+,20-14+,21-13+
InChIKey IGCAVCQVYYCKOV-HBZGUYFNSA-N
Literature Reference Author N.FLORES,I.A.JIMENEZ,A.GIMENEZ,G.RUIZ,D.GUTIERREZ,G.BOURDY,I .L.BAZZOCCHI
Literature Reference Citation PHYTOCHEM.,70,621(2009)
Literature Reference DOI 10.1016/j.phytochem.2009.03.010
Molecular Weight 456.579 g/mol
Sample ID 64630
Solvent CDCl3