Salvianolic acid A

enlarge

Systematic / IUPAC Name: (2R)-3-(3,4-Dihydroxyphenyl)-2-{[(2E)-3-{2-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxyphenyl}-2-propenoyl]oxy}propanoic acid

ID: Reference5857

Other Names: Salvianolic acid;
(R)-3-(3,4-Dihydroxyphenyl)-2-[((E)-3-{2-[(E)-3,4-dihydroxystyryl]-3,4-dihydroxyphenyl}acryloyl)oxy]propanoic acid ;
(2R)-3-(3,4-Dihydroxyphenyl)-2-((E)-3-{2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl}prop-2-enoyl)oxypropanoic acid ;
Benzenepropanoic acid, α-[(3-{2-[2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl}-1-oxo-2-propenyl)oxy]-3,4-dihydroxy-, [R-(E,E)]- ;
Dan phenolic acid A

Formula: C26H22O10

Class: Endogenous Metabolites

Spectral Data

Salvianolic acid A 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 232
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/31/2016 8:00:51 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
InChI Key YMGFTDKNIWPMGF-UCPJVGPRSA-N
Canonical SMILES C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O
CAS 96574015
Splash
Other Names Salvianolic acid;
(R)-3-(3,4-Dihydroxyphenyl)-2-[((E)-3-{2-[(E)-3,4-dihydroxystyryl]-3,4-dihydroxyphenyl}acryloyl)oxy]propanoic acid ;
(2R)-3-(3,4-Dihydroxyphenyl)-2-((E)-3-{2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl}prop-2-enoyl)oxypropanoic acid ;
Benzenepropanoic acid, α-[(3-{2-[2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl}-1-oxo-2-propenyl)oxy]-3,4-dihydroxy-, [R-(E,E)]- ;
Dan phenolic acid A

In Other Databases

ChemSpider 4445105
ChemIDPlus 096574015
ChEBI CHEBI:9017
KEGG C10492
ChEMBL CHEMBL457077
PubChem 5281793