Eucommin A

Base Information

• Chemical Name: Eucommin A
• CAS No.: 99633-12-2
• Molecular Formula: C27H34O12
• Molecular Weight: 550.56
• DSSTox Substance ID: DTXSID00331967
• Nikkaji Number: J988.046A
• Wikidata: Q27106540
• Metabolomics Workbench ID: 69461
• ChEMBL ID: CHEMBL1076999
• Mol file: 99633-12-2.mol

Synonyms:Eucommin A;(+)-eucommin A;99633-12-2;CHEBI:4914;CHEMBL1076999;C10560;(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;beta-D-Glucopyranoside, 2,6-dimethoxy-4-[(1S,3aR,4S,6aR)-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl;AC1L9DHH;SureCN4743649;SCHEMBL4743649;DTXSID00331967;Medioresinol 4'-O-beta-D-glucopyranoside;Q27106540;(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

Chemical Property of Eucommin A

Chemical Property:

• Vapor Pressure: 1.48E-24mmHg at 25°C
• Boiling Point: 764.2°C at 760 mmHg
• Flash Point: 416°C
• PSA: 165.76000
• Density: 1.408g/cm³
• LogP: 0.67190
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 550.20502652
• Heavy Atom Count: 39
• Complexity: 774

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C=C5)O)OC
• Isomeric SMILES: COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)[C@@H]3[C@H]4CO[C@@H]([C@H]4CO3)C5=CC(=C(C=C5)O)OC