Symplocosin

Base Information

• Chemical Name: Symplocosin
• CAS No.: 11042-30-1
• Molecular Formula: C₂₆H₃₂O₁₁
• Molecular Weight: 520.5257
• DSSTox Substance ID: DTXSID90417709
• Wikidata: Q82227825
• ChEMBL ID: CHEMBL1302893
• Mol file: 11042-30-1.mol

Synonyms:Symplocosin;24404-49-7;11042-30-1;epipinoresinol-4'-O-glucopyranoside;2-[4-[3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;EPIPINORESINOL-4-O-GLUCOPYRANOSIDE;(+)-Piresil-4-O-beta-D-glucopyraside;(+)-pinoresinol 4-O-beta-D-glucopyranoside;74983-66-7;NSC35608;Compound NP-000892;MLS000876969;MEGxp0_000349;CHEMBL1302893;ACon1_001148;DTXSID90417709;CHEBI:139469;HMS2269N21;BCP10898;Epipinoresinol-4'-O-beta-D-glucoside;AKOS040740113;NCGC00169630-01;NCGC00169630-02;SMR000440667;(+)-Piresil-4-O-(c)micro-D-glucopyraside;FT-0775801;BRD-A30201120-001-01-8;Pinoresinol 4-O-beta-D-glucopyranoside;Pinoresinol 4-O-glucoside;(+)-pinoresinol-(c)micro-D-glucoside

Chemical Property of Symplocosin

Chemical Property:

• Vapor Pressure: 8.62E-24mmHg at 25°C
• Boiling Point: 752.5°Cat760mmHg
• Flash Point: 408.9°C
• Density: 1.418g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 520.19446183
• Heavy Atom Count: 37
• Complexity: 741

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)O