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

*Links on SpectraBase are not permalinks.
5-CARBOXY-7-(3'',3''-DIMETHYLALLYL)-2-(1'-HYDROXY-1',5'-DIMETHYLHEX-4'-ENYL)-2,3-DIHYDROXYBENZOFURAN
SpectraBase Compound ID HJqjKqHQG2I
InChI InChI=1S/C22H30O4/c1-14(2)7-6-10-22(5,25)19-13-17-12-18(21(23)24)11-16(20(17)26-19)9-8-15(3)4/h7-8,11-12,19,25H,6,9-10,13H2,1-5H3,(H,23,24)
InChIKey GZLIPAFSJXROEC-UHFFFAOYSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID JzEGkuosNcf
Name 5-carboxy-2,3-dihydro-2-(1,5-dimethyl-1-hydroxy-4-hexenyl)-7-(3-methyl-2-butenyl)benzofuran
Appearance Crystalline white powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-14(2)7-6-10-22(5,25)19-13-17-12-18(21(23)24)11-16(20(17)26-19)9-8-15(3)4/h7-8,11-12,19,25H,6,9-10,13H2,1-5H3,(H,23,24)
InChIKey GZLIPAFSJXROEC-UHFFFAOYSA-N
Instrument Name Shimadzu DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2015.06.032
Molecular Weight 358.478 g/mol
SMILES OC(C1Cc2c(c(cc(C(O)=O)c2)CC=C(C)C)O1)(C)CCC=C(C)C
SPLASH splash10-05mo-9840000000-0fa2742062488f51a972
Source of Spectrum AJC-9-878-MAB
Synonyms Myrsinoic acid B
Wiley ID 1857077