Kurarinol

Base Information

• Chemical Name: Kurarinol
• CAS No.: 855746-98-4
• Molecular Formula: C26H32O7
• Molecular Weight: 456.5
• DSSTox Substance ID: DTXSID401318587
• Wikidata: Q27155049
• Metabolomics Workbench ID: 135461
• ChEMBL ID: CHEMBL455667
• Mol file: 855746-98-4.mol

Synonyms:kurarinol

Chemical Property of Kurarinol

Chemical Property:

• PKA: 7.54±0.40(Predicted)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 456.21480336
• Heavy Atom Count: 33
• Complexity: 692

Purity/Quality:

99%min. ^*data from raw suppliers

Kurarinol ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C(CCC(C)(C)O)CC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=C(C=C(C=C3)O)O
• Isomeric SMILES: CC(=C)[C@H](CCC(C)(C)O)CC1=C2C(=C(C=C1O)OC)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)O