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fomefficinic acid A

Base Information
  • Chemical Name:fomefficinic acid A
  • CAS No.:120527-41-5
  • Molecular Formula:C31H48O3
  • Molecular Weight:468.72
  • Hs Code.:
  • DSSTox Substance ID:DTXSID901315752
  • Metabolomics Workbench ID:112015,134723
  • Nikkaji Number:J2.097.564D
  • Wikidata:Q27136855
fomefficinic acid A

Synonyms:dehydroeburiconic acid

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Chemical Property of fomefficinic acid A
Chemical Property:
  • XLogP3:7.7
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:6
  • Exact Mass:468.36034539
  • Heavy Atom Count:34
  • Complexity:923
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MSDS Files:
Useful:
  • Canonical SMILES:CC(C)C(=C)CCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C)C(=O)O
  • Isomeric SMILES:CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)C(=O)O
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