Costatolide

Base Information

• Chemical Name: Costatolide
• CAS No.: 909-14-8
• Molecular Formula: C22H26O5
• Molecular Weight: 370.43884
• DSSTox Substance ID: DTXSID50920087
• Nikkaji Number: J609.263B
• Wikidata: Q27134006
• Metabolomics Workbench ID: 63972
• ChEMBL ID: CHEMBL7187
• Mol file: 909-14-8.mol

Synonyms:calanolide A;calanolide F;costatolide;NSC 661122

Chemical Property of Costatolide

Chemical Property:

• PSA: 68.90000
• LogP: 4.38010
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 370.17802393
• Heavy Atom Count: 27
• Complexity: 666

Purity/Quality:

≥98% （HPLC） ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(C(C(O4)C)C)O
• Isomeric SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H]([C@H]([C@@H](O4)C)C)O