CID 6441811

Base Information

• Chemical Name: CID 6441811
• CAS No.: 72061-91-7
• Molecular Formula: C24H34O8
• Molecular Weight: 450.52196
• Mol file: 72061-91-7.mol

Synonyms:asteltoxin

Chemical Property of CID 6441811

Chemical Property:

• Vapor Pressure: 1.53E-17mmHg at 25°C
• Boiling Point: 612.1°C at 760 mmHg
• Flash Point: 208.5°C
• PSA: 118.59000
• LogP: 2.34280
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 450.22536804
• Heavy Atom Count: 32
• Complexity: 839

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(C2(C(C(OC2O1)C=CC=CC=CC3=C(C(=CC(=O)O3)OC)C)O)C)(C)O.CO
• Isomeric SMILES: CC[C@@H]1[C@@]([C@]2([C@H]([C@H](O[C@H]2O1)/C=C/C=C/C=C/C3=C(C(=CC(=O)O3)OC)C)O)C)(C)O.CO