Pterisolic acid C

Base Information

• Chemical Name: Pterisolic acid C
• CAS No.: 1401419-87-1
• Molecular Formula: C20H26O4
• Molecular Weight: 330.42
• DSSTox Substance ID: DTXSID701194053
• Nikkaji Number: J2.936.099E
• Mol file: 1401419-87-1.mol

Synonyms:Pterisolic acid C;1401419-87-1;(1R,4S,5R,9R,13S)-13-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid;DTXSID701194053;AKOS032961917;FS-9493;Kaura-9(11),16-dien-18-oic acid, 13-hydroxy-15-oxo-, (4alpha)-

Chemical Property of Pterisolic acid C

Chemical Property:

• Boiling Point: 535.2±50.0 °C(Predicted)
• PKA: 4.60±0.60(Predicted)
• PSA: 74.60000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 3.25410
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 330.18310931
• Heavy Atom Count: 24
• Complexity: 706

Purity/Quality:

98%Min ^*data from raw suppliers

PterisolicacidC 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCCC(C1CCC34C2=CCC(C3)(C(=C)C4=O)O)(C)C(=O)O
• Isomeric SMILES: C[C@@]12CCC[C@@]([C@H]1CC[C@]34C2=CC[C@](C3)(C(=C)C4=O)O)(C)C(=O)O