Pterisolic acid E

Base Information

• Chemical Name: Pterisolic acid E
• CAS No.: 1401419-89-3
• Molecular Formula: C20H30O5
• Molecular Weight: 350.46
• DSSTox Substance ID: DTXSID101216071
• Wikidata: Q105123236
• Mol file: 1401419-89-3.mol

Synonyms:Pterisolic acid E;1401419-89-3;(1R,4S,5R,9R,10R,12R,13R,14R)-10,12-dihydroxy-5,9,14-trimethyl-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid;(4R,4aS,6aR,8R,9R,10R,11aR,11bR)-10,11a-Dihydroxy-4,8,11b-trimethyl-7-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid;DTXSID101216071;AKOS032961920;FS-9496;Kauran-18-oic acid, 9,12-dihydroxy-15-oxo-, (4alpha,12beta)-

Chemical Property of Pterisolic acid E

Chemical Property:

• Boiling Point: 539.0±50.0 °C(Predicted)
• PKA: 4.53±0.70(Predicted)
• PSA: 94.83000
• Density: 1.28±0.1 g/cm3(Predicted)
• LogP: 2.38470
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 350.20932405
• Heavy Atom Count: 25
• Complexity: 646

Purity/Quality:

99% ^*data from raw suppliers

PterisolicacidE ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CC3(C1=O)CCC4C(CCCC4(C3(CC2O)O)C)(C)C(=O)O
• Isomeric SMILES: C[C@@H]1[C@H]2C[C@]3(C1=O)CC[C@@H]4[C@](CCC[C@]4([C@@]3(C[C@H]2O)O)C)(C)C(=O)O