Demethylzeylasteral

Base Information

• Chemical Name: Demethylzeylasteral
• CAS No.: 107316-88-1
• Molecular Formula: C29H36O6
• Molecular Weight: 480.59300
• DSSTox Substance ID: DTXSID901315726
• Nikkaji Number: J672.774C
• Wikidata: Q104666875
• ChEMBL ID: CHEMBL3949551
• Mol file: 107316-88-1.mol

Synonyms:demethylzeylasteral;T-96 compound;TZ 93;TZ-93

Chemical Property of Demethylzeylasteral

Chemical Property:

• Boiling Point: 663.6±55.0 °C(Predicted)
• PKA: 4.78±0.70(Predicted)
• PSA: 111.90000
• Density: 1.31
• LogP: 5.78820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 480.25118886
• Heavy Atom Count: 35
• Complexity: 1000

Purity/Quality:

98% ^*data from raw suppliers

Demethylzeylasteral ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1C3(CCC4(C5=CC(=C(C(=C5C(=O)C=C4C3(CC2)C)C=O)O)O)C)C)(C)C(=O)O
• Isomeric SMILES: C[C@]12CC[C@@](C[C@H]1[C@@]3(CC[C@]4(C5=CC(=C(C(=C5C(=O)C=C4[C@]3(CC2)C)C=O)O)O)C)C)(C)C(=O)O
• Uses: Demethylzeylasteral is a natural product as new inhibitor to block the Bcl-XL-Bid interaction. Also, it is an immunosuppressive monomer isolated from the root xylem of Tripterygium wilfordii. It exhibits inhibition towards the glucuronidation elimination reaction of SN-38.