Bruceanic acid D

Base Information

• Chemical Name: Bruceanic acid D
• CAS No.: 132587-61-2
• Molecular Formula: C27H36 O13
• Molecular Weight: 568.57
• Wikidata: Q105105169
• Mol file: 132587-61-2.mol

Synonyms:bruceanic acid D

Chemical Property of Bruceanic acid D

Chemical Property:

• Vapor Pressure: 4.35E-25mmHg at 25°C
• Boiling Point: 737.2°Cat760mmHg
• Flash Point: 240.1°C
• PSA: 192.19000
• Density: 1.41g/cm³
• LogP: -0.77480
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 10
• Exact Mass: 568.21559120
• Heavy Atom Count: 40
• Complexity: 1140

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=O)OC1C2C34COC2(C(C(C3C(C(CC4OC1=O)C(=O)C)CC(=O)OC)O)O)C(=O)OC)C(C)(C)O
• Isomeric SMILES: C/C(=C\C(=O)OC1C2[C@]3([C@@H]([C@H](C4C2(CO3)C(CC(C4CC(=O)OC)C(=O)C)OC1=O)O)O)C(=O)OC)/C(C)(C)O