CID 6436229

Base Information

• Chemical Name: CID 6436229
• CAS No.: 112899-35-1
• Molecular Formula: C36H48 O18
• Molecular Weight: 768.76

Synonyms:bruceantinoside C

Chemical Property of CID 6436229

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 948.1°Cat760mmHg
• Flash Point: 291.3°C
• PSA: 271.34000
• Density: 1.51g/cm³
• LogP: -2.04680
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 11
• Exact Mass: 768.28406468
• Heavy Atom Count: 54
• Complexity: 1650

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C=C(C(=O)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)OC6C(C(C(C(O6)CO)O)O)O
• Isomeric SMILES: CC1C=C(C(=O)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)OC6C(C(C(C(O6)CO)O)O)O

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