Fupenzic acid

Base Information

• Chemical Name: Fupenzic acid
• CAS No.: 119725-20-1
• Molecular Formula: C30H44 O5
• Molecular Weight: 484.67
• ChEMBL ID: CHEMBL3114758
• DSSTox Substance ID: DTXSID701248335
• Metabolomics Workbench ID: 130499
• Wikidata: Q104398865
• Mol file: 119725-20-1.mol

Synonyms:Fupenzic acid;119725-20-1;(1R,2R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-1,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,13,14b-decahydro-2H-picene-4a-carboxylic acid;2,19-Dihydroxy-3-oxoursa-1,12-dien-28-oic acid;SCHEMBL4910498;(+)-Fupenzic acid;CHEMBL3114758;DTXSID701248335;AKOS040761754;FS-10222;Ursa-1,12-dien-28-oic acid, 2,19-dihydroxy-3-oxo-

Chemical Property of Fupenzic acid

Chemical Property:

• PSA: 94.83000
• LogP: 6.07430
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 484.31887450
• Heavy Atom Count: 35
• Complexity: 1060

Purity/Quality:

98%min ^*data from raw suppliers

Fupenzicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(C=C(C(=O)C5(C)C)O)C)C)C2C1(C)O)C)C(=O)O
• Isomeric SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O