Lanceolarin

Base Information

• Chemical Name: Lanceolarin
• CAS No.: 15914-68-8
• Molecular Formula: C27H30 O14
• Molecular Weight: 578.5187
• DSSTox Substance ID: DTXSID90936061
• Nikkaji Number: J39.154I
• Wikidata: Q76309727
• Metabolomics Workbench ID: 22360
• ChEMBL ID: CHEMBL1945732
• Mol file: 15914-68-8.mol

Synonyms:biochanin-A-7-apiosyl(1-2)glucoside;lanceolarin

Chemical Property of Lanceolarin

Chemical Property:

• Vapor Pressure: 1.86E-35mmHg at 25°C
• Boiling Point: 906.8°Cat760mmHg
• Flash Point: 302.2°C
• PSA: 217.97000
• Density: 1.66g/cm³
• LogP: -1.18220
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 578.16355563
• Heavy Atom Count: 41
• Complexity: 939

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Lanceolarin ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O
• Isomeric SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O)O