Epimedin-A

Base Information

• Chemical Name: Epimedin-A
• CAS No.: 110623-72-8
• Molecular Formula: C39H50O20
• Molecular Weight: 838.814
• Hs Code.: 29329990
• DSSTox Substance ID: DTXSID40704898
• Wikidata: Q72470867
• Mol file: 110623-72-8.mol

Synonyms:Epimedin-A;DTXSID40704898;AKOS025402177;AC-6039

Chemical Property of Epimedin-A

Chemical Property:

• Appearance/Colour: Light yellow crystal powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 197-199 °C(Solv: methanol (67-56-1))
• Refractive Index: 1.69
• Boiling Point: 1099.831 °C at 760 mmHg
• PKA: 5.90±0.40(Predicted)
• Flash Point: 333.188 °C
• PSA: 297.12000
• Density: 1.618 g/cm³
• LogP: -1.08030
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 12
• Exact Mass: 836.31027942
• Heavy Atom Count: 59
• Complexity: 1470

Purity/Quality:

98% MIN ^*data from raw suppliers

Epimedin A ^*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)OC4CC(C(C(C4O)O)O)CO)O)C5=CC=C(C=C5)OC)OC6C(C(C(C(O6)CO)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]4C[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)O)C5=CC=C(C=C5)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O