Ibotanolide B

Base Information

• Chemical Name: Ibotanolide B
• CAS No.: 123562-46-9
• Molecular Formula: C23H26 O11
• Molecular Weight: 478.4459
• Wikidata: Q105191753
• Mol file: 123562-46-9.mol

Synonyms:Ibotanolide B;123562-46-9

Chemical Property of Ibotanolide B

Chemical Property:

• Vapor Pressure: 8.51E-28mmHg at 25°C
• Boiling Point: 811°Cat760mmHg
• Flash Point: 279.2°C
• Density: 1.543g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 478.14751164
• Heavy Atom Count: 34
• Complexity: 673

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CCO)O)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1CCO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O