Kadsurenin L

Base Information

• Chemical Name: Kadsurenin L
• CAS No.: 149438-61-9
• Molecular Formula: C23H28 O6
• Molecular Weight: 400.46
• DSSTox Substance ID: DTXSID60933648
• Nikkaji Number: J1.787.972C
• Wikidata: Q82909480
• ChEMBL ID: CHEMBL594049
• Mol file: 149438-61-9.mol

Synonyms:delta(8')-3,4,5'-trimethoxy-4'-acetoxy-2',3',4',5'-tetrahydro-2'-oxo-7.3',8.5'-neolignan;kadsurenin L

Chemical Property of Kadsurenin L

Chemical Property:

• Vapor Pressure: 2.49E-10mmHg at 25°C
• Boiling Point: 505.2°Cat760mmHg
• Flash Point: 217.6°C
• PSA: 71.06000
• Density: 1.18g/cm³
• LogP: 3.45540
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 400.18858861
• Heavy Atom Count: 29
• Complexity: 685

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C2C(C1(C=C(C2=O)CC=C)OC)OC(=O)C)C3=CC(=C(C=C3)OC)OC
• Isomeric SMILES: C[C@@H]1[C@H]([C@H]2[C@@H]([C@@]1(C=C(C2=O)CC=C)OC)OC(=O)C)C3=CC(=C(C=C3)OC)OC