Vertisporin, 7',8'-didehydro-

Base Information

• Chemical Name: Vertisporin, 7',8'-didehydro-
• CAS No.: 102852-48-2
• Molecular Formula: C29H34 O10
• Molecular Weight: 542.57
• Mol file: 102852-48-2.mol

Synonyms:Roritoxin A;Vertisporin, 7',8'-didehydro-;102852-48-2

Chemical Property of Vertisporin, 7',8'-didehydro-

Chemical Property:

• Boiling Point: 843.6oC at 760 mmHg
• Flash Point: 282.1oC
• PSA: 133.28000
• Density: 1.45g/cm3
• LogP: 1.40390
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 0
• Exact Mass: 542.21519728
• Heavy Atom Count: 39
• Complexity: 1220

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C3(CC1)COC(=O)C=C4CCOC5(C4OC(C5O)O)C=CC=CC(=O)OC6C3(C7(CO7)C(C6)O2)C
• Isomeric SMILES: CC1=CC2C3(CC1)COC(=O)/C=C\4/CCOC5(C4OC(C5O)O)/C=C\C=C\C(=O)OC6C3(C7(CO7)C(C6)O2)C