Bruceanol G

Base Information

• Chemical Name: Bruceanol G
• CAS No.: 168301-20-0
• Molecular Formula: C30H40 O13
• Molecular Weight: 608.6308
• DSSTox Substance ID: DTXSID101336734
• Nikkaji Number: J710.923G
• Wikipedia: Bruceanol G,Bruceanol_G
• NCI Thesaurus Code: C1694
• ChEMBL ID: CHEMBL445045
• Mol file: 168301-20-0.mol

Synonyms:bruceanol G

Chemical Property of Bruceanol G

Chemical Property:

• Vapor Pressure: 1.57E-27mmHg at 25°C
• Boiling Point: 772.2°Cat760mmHg
• PKA: 12.17±0.70(Predicted)
• Flash Point: 247.1°C
• PSA: 192.19000
• Density: 1.41g/cm³
• LogP: 0.00380
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 608.24689133
• Heavy Atom Count: 43
• Complexity: 1290

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)O
• Isomeric SMILES: C[C@@H]1CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)O