Koetjapic acid

Base Information

• Chemical Name: Koetjapic acid
• CAS No.: 142905-27-9
• Molecular Formula: C30H46 O4
• ChEMBL ID: CHEMBL495066
• DSSTox Substance ID: DTXSID401317222
• Metabolomics Workbench ID: 139078
• Nikkaji Number: J1.164.835E
• Wikidata: Q104400086
• Mol file: 142905-27-9.mol

Synonyms:koetjapic acid

Chemical Property of Koetjapic acid

Chemical Property:

• XLogP3: 7.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 470.33960994
• Heavy Atom Count: 34
• Complexity: 934

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CC=C3C2(CCC4(C3CC(CC4)(C)C(=O)O)C)C)C
• Isomeric SMILES: CC(=C)[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC(=O)O)CC=C3[C@]2(CC[C@@]4([C@H]3C[C@@](CC4)(C)C(=O)O)C)C)C