Epimedin B

Base Information

• Chemical Name: Epimedin B
• CAS No.: 110623-73-9
• Molecular Formula: C38H48O19
• Molecular Weight: 808.788
• Hs Code.: 29329990
• DSSTox Substance ID: DTXSID40149341
• Nikkaji Number: J471.986G
• Wikidata: Q72470907
• Metabolomics Workbench ID: 143870
• Mol file: 110623-73-9.mol

Synonyms:epimedin B

Chemical Property of Epimedin B

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 162-164 °C
• Refractive Index: 1.685
• Boiling Point: 1066.1 °C at 760 mmHg
• PKA: 5.90±0.40(Predicted)
• Flash Point: 325.6 °C
• PSA: 297.12000
• Density: 1.6 g/cm³
• LogP: -1.46880
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 11
• Exact Mass: 808.27897930
• Heavy Atom Count: 57
• Complexity: 1420

Purity/Quality:

98% MIN ^*data from raw suppliers

Epimedin B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)OC6C(C(C(CO6)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O