Lactucaxanthin

Base Information

• Chemical Name: Lactucaxanthin
• CAS No.: 78306-12-4
• Molecular Formula: C₄₀H₅₆O₂
• Molecular Weight: 568.883
• DSSTox Substance ID: DTXSID80415092
• Metabolomics Workbench ID: 28996
• Nikkaji Number: J945.907C
• Wikidata: Q27107159
• Mol file: 78306-12-4.mol

Synonyms:lactucaxanthin

Chemical Property of Lactucaxanthin

Chemical Property:

• Boiling Point: 693.2°Cat760mmHg
• Flash Point: 264.8°C
• PSA: 40.46000
• Density: 1.001g/cm³
• LogP: 10.25920
• XLogP3: 11.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 568.42803102
• Heavy Atom Count: 42
• Complexity: 1160

Purity/Quality:

≥98% （HPLC） ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C)(C)C)O
• Isomeric SMILES: CC1=C[C@@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]2C(C[C@H](C=C2C)O)(C)C)\C)\C)/C)/C)(C)C)O