2-Hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)-6-[(E)-2-phenylvinyl]benzoic acid

enlarge

Systematic / IUPAC Name: 2-Hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)-6-[(E)-2-phenylvinyl]benzoic acid

ID: Reference7666

Other Names: 2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-(2-phenylethenyl)benzoic acid;
2-Hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-[(E)-2-phenylethenyl]benzoic acid;
2-Hydroxy-4-methoxy-3-prenyl-6-styrylbenzoic acid;
Benzoic acid, 2-hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)-6-[(E)-2-phenylethenyl]-

Formula: C21H22O4

Spectral Data

2-Hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)-6-[(E)-2-phenylvinyl]benzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/29/2018 11:41:23 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H22O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-11,13,22H,12H2,1-3H3,(H,23,24)/b11-10+
InChI Key XPDYDSQPCFQSLH-ZHACJKMWSA-N
Canonical SMILES CC(=CCC1=C(C=C(C(=C1O)C(=O)O)C=CC2=CC=CC=C2)OC)C
CAS
Splash
Other Names 2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-(2-phenylethenyl)benzoic acid;
2-Hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-[(E)-2-phenylethenyl]benzoic acid;
2-Hydroxy-4-methoxy-3-prenyl-6-styrylbenzoic acid;
Benzoic acid, 2-hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)-6-[(E)-2-phenylethenyl]-

In Other Databases

ChEMBL CHEMBL3596977
HMDb HMDB39438
PubChem 9819225
ChemSpider 7994974