Pterisolic acid D

Base Information

• Chemical Name: Pterisolic acid D
• CAS No.: 1401419-88-2
• Molecular Formula: C20H30O5
• Molecular Weight: 350.45
• DSSTox Substance ID: DTXSID101222406
• Wikidata: Q105134379
• Mol file: 1401419-88-2.mol

Synonyms:Pterisolic acid D;1401419-88-2;(1S,3R,4S,5R,9R,10R,13R,14R)-3,10-dihydroxy-5,9,14-trimethyl-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid;DTXSID101222406;AKOS032961918;FS-9494;Kauran-18-oic acid, 6,9-dihydroxy-15-oxo-, (4alpha,6beta)-

Chemical Property of Pterisolic acid D

Chemical Property:

• PSA: 94.83000
• LogP: 2.38470
• XLogP3: 1.8
• 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:

HPLC≥98% ^*data from raw suppliers

PterisolicacidD 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CCC3(C4(CCCC(C4C(CC3(C2)C1=O)O)(C)C(=O)O)C)O
• Isomeric SMILES: C[C@@H]1[C@@H]2CC[C@]3([C@@]4(CCC[C@@]([C@H]4[C@@H](C[C@]3(C2)C1=O)O)(C)C(=O)O)C)O