Clitorin

Base Information

• Chemical Name: Clitorin
• CAS No.: 55804-74-5
• Molecular Formula: C₃₃H₄₀O₁₉
• Molecular Weight: 740.669
• Metabolomics Workbench ID: 200661
• Nikkaji Number: J398.957G
• Wikidata: Q104399482
• Wikipedia: Clitorin
• Mol file: 55804-74-5.mol

Synonyms:clitorin;kaempferol 3-O-(2'',6''-di-O-rhamnopyranosyl)glucopyranoside

Chemical Property of Clitorin

Chemical Property:

• Boiling Point: 1054.0±65.0 °C(Predicted)
• PKA: 6.20±0.40(Predicted)
• PSA: 308.12000
• Density: 1.74±0.1 g/cm3(Predicted)
• LogP: -2.54090
• XLogP3: -2
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 8
• Exact Mass: 740.21637904
• Heavy Atom Count: 52
• Complexity: 1260

Purity/Quality:

99%, ^*data from raw suppliers

Clitorin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)C)O)O)O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O)O)O