Tolypodiol

Base Information

• Chemical Name: Tolypodiol
• CAS No.: 178948-67-9
• Molecular Formula: C28H40O5
• Molecular Weight: 456.6142
• DSSTox Substance ID: DTXSID10939130
• Nikkaji Number: J864.364D
• Wikidata: Q27134794
• Metabolomics Workbench ID: 64480
• ChEMBL ID: CHEMBL466166
• Mol file: 178948-67-9.mol

Synonyms:tolypodiol

Chemical Property of Tolypodiol

Chemical Property:

• Vapor Pressure: 5.33E-14mmHg at 25°C
• Boiling Point: 573.7°Cat760mmHg
• Flash Point: 184.3°C
• Density: 1.147g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 456.28757437
• Heavy Atom Count: 33
• Complexity: 795

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC(C2(C1C(CC3(C2CCC4(C3CC5=C(O4)C=CC(=C5)C(=O)OC)C)C)O)C)O)C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@]([C@@H]1CC4=C(O2)C=CC(=C4)C(=O)OC)(C[C@H]([C@@H]5[C@@]3([C@@H](CCC5(C)C)O)C)O)C