Katononic acid

Base Information

• Chemical Name: Katononic acid
• CAS No.: 76094-29-6
• Molecular Formula: C₃₀H₄₆O₃
• Molecular Weight: 454.693
• DSSTox Substance ID: DTXSID901297990
• Nikkaji Number: J357.032K
• Wikidata: Q104400084
• Metabolomics Workbench ID: 72211
• ChEMBL ID: CHEMBL491702
• Mol file: 76094-29-6.mol

Synonyms:Katononic acid;CHEMBL491702;3-Oxoolean-12-en-29-oic acid;3-oxoolean-12-en-29alpha-oic acid;3-Oxo-olean-12-en-29-oic acid;SCHEMBL20511990;CHEBI:172019;DTXSID901297990;BDBM50250348;LMPR0106150033;(20alpha)-3-Oxoolean-12-en-29-oic acid;(2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid;76094-29-6

Chemical Property of Katononic acid

Chemical Property:

• XLogP3: 7.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 454.34469533
• Heavy Atom Count: 33
• Complexity: 931

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC3(C(C2(CCC1=O)C)CC=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
• Isomeric SMILES: C[C@]12CC[C@@](C[C@H]1C3=CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)(C)C(=O)O