Roritoxin B

Base Information

• Chemical Name: Roritoxin B
• CAS No.: 102852-49-3
• Molecular Formula: C₂₉H₃₄O₁₁
• Molecular Weight: 558.582
• Mol file: 102852-49-3.mol

Synonyms:roritoxin B

Chemical Property of Roritoxin B

Chemical Property:

• Vapor Pressure: 1.64E-32mmHg at 25°C
• Boiling Point: 836.7°Cat760mmHg
• Flash Point: 279.8°C
• PSA: 145.81000
• Density: 1.51g/cm³
• LogP: 0.61510
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 0
• Exact Mass: 558.21011190
• Heavy Atom Count: 40
• Complexity: 1260

Purity/Quality:

RORITOXIN B 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC6(C5OC(C6O)O)C=CC=CC(=O)OC7C3(C8(CO8)C(C7)O2)C
• Isomeric SMILES: CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC6(C5OC(C6O)O)/C=C/C=C/C(=O)OC7C3(C8(CO8)C(C7)O2)C

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