Zhankuic acid A

Base Information

• Chemical Name: Zhankuic acid A
• CAS No.: 163597-25-9
• Molecular Formula: C29H40 O5
• DSSTox Substance ID: DTXSID60434004
• Nikkaji Number: J702.506H
• Wikidata: Q27135108
• ChEMBL ID: CHEMBL1644789
• Mol file: 163597-25-9.mol

Synonyms:4-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid;4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid;zhankuic acid A

Chemical Property of Zhankuic acid A

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 468.28757437
• Heavy Atom Count: 34
• Complexity: 989

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CC(=O)C3=C(C2(CCC1=O)C)C(=O)CC4(C3CCC4C(C)CCC(=C)C(C)C(=O)O)C
• Isomeric SMILES: C[C@H]1[C@@H]2CC(=O)C3=C([C@]2(CCC1=O)C)C(=O)C[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=C)C(C)C(=O)O)C

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