Carda-16,20(22)-dienolide, 3-(acetyloxy)-14-hydroxy-, (3beta,5beta)-

Base Information

• Chemical Name: Carda-16,20(22)-dienolide, 3-(acetyloxy)-14-hydroxy-, (3beta,5beta)-
• CAS No.: 13075-65-5
• Molecular Formula: C25H34 O5
• DSSTox Substance ID: DTXSID20156715
• Wikidata: Q83024839
• Mol file: 13075-65-5.mol

Synonyms:16-Anhydrogitoxigenin 3-acetate;Carda-16,20(22)-dienolide, 3-(acetyloxy)-14-hydroxy-, (3beta,5beta)-;13075-65-5;5beta-Carda-16,20(22)-dienolide, 3beta,14-dihydroxy-, 3-acetate;3-(Acetyloxy)-14-hydroxycarda-16,20(22)-dienolide (3beta,5beta)-;DTXSID20156715

Chemical Property of Carda-16,20(22)-dienolide, 3-(acetyloxy)-14-hydroxy-, (3beta,5beta)-

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 414.24062418
• Heavy Atom Count: 30
• Complexity: 843

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CC=C4C5=CC(=O)OC5)O)C)C
• Isomeric SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC=C4C5=CC(=O)OC5)O)C)C