Dawoensin A

Base Information

• Chemical Name: Dawoensin A
• CAS No.: 137661-09-7
• Molecular Formula: C26H36O8
• Molecular Weight: 476.56
• Nikkaji Number: J2.047.526I
• Metabolomics Workbench ID: 135528
• ChEMBL ID: CHEMBL456521
• Mol file: 137661-09-7.mol

Synonyms:Dawoensin A;Dawodensin A;(-)-Dawoensin A;(-)-Dawodensin A;CHEMBL456521;137661-09-7;Kaur-16-en-15-one, 3,6,7-tris(acetyloxy)-11-hydroxy-, (3beta,6alpha,7beta,11beta)-

Chemical Property of Dawoensin A

Chemical Property:

• Boiling Point: 565.5±50.0 °C(Predicted)
• Density: 1.24±0.1 g/cm3(Predicted)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 476.24101810
• Heavy Atom Count: 34
• Complexity: 952

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1CCC2(C3C(CC4CC3(C(C(C2C1(C)C)OC(=O)C)OC(=O)C)C(=O)C4=C)O)C
• Isomeric SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H]3[C@H](C[C@@H]4C[C@@]3([C@H]([C@@H]([C@@H]2C1(C)C)OC(=O)C)OC(=O)C)C(=O)C4=C)O)C