Seconeokadsuranic acid A

Base Information

• Chemical Name: Seconeokadsuranic acid A
• CAS No.: 124817-74-9
• Molecular Formula: C30H44O4
• Molecular Weight: 468.7
• Metabolomics Workbench ID: 132517
• Mol file: 124817-74-9.mol

Synonyms:Seconeokadsuranic acid A;124817-74-9;Seco-neokadsuranic acid A;(E)-6-[8-(2-carboxyethyl)-4a,8-dimethyl-1-methylidene-7-prop-1-en-2-yl-2,3,4,4b,5,6,7,9a-octahydrofluoren-2-yl]-2-methylhept-2-enoic acid;AKOS037514833;AKOS040760705

Chemical Property of Seconeokadsuranic acid A

Chemical Property:

• PKA: 4.73±0.10(Predicted)
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 468.32395988
• Heavy Atom Count: 34
• Complexity: 924

Purity/Quality:

99%, ^*data from raw suppliers

Seconeokadsuranic acid A ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC=C(C)C(=O)O)C1CCC2(C3CCC(C(C3=CC2C1=C)(C)CCC(=O)O)C(=C)C)C
• Isomeric SMILES: CC(CC/C=C(\C)/C(=O)O)C1CCC2(C3CCC(C(C3=CC2C1=C)(C)CCC(=O)O)C(=C)C)C

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