Picrasin C

Base Information

• Chemical Name: Picrasin C
• CAS No.: 33804-89-6
• Molecular Formula: C23H34O7
• Molecular Weight: 422.5119
• DSSTox Substance ID: DTXSID10955390
• Nikkaji Number: J34.258K
• Wikidata: Q27107940
• Mol file: 33804-89-6.mol

Synonyms:Picrasin C;Nigakilactone J;33804-89-6;Picrasan-1,16-dione, 11-(acetyloxy)-2-hydroxy-12-methoxy-, (2alpha,11alpha,12beta)-;[(1S,2S,4S,6R,7S,9R,13S,14R,15S,16S,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate;C08776;CHEBI:8203;DTXSID10955390;Q27107940;2-Hydroxy-12-methoxy-1,16-dioxopicrasan-11-yl acetate

Chemical Property of Picrasin C

Chemical Property:

• Vapor Pressure: 1.05E-14mmHg at 25°C
• Boiling Point: 556.6°C at 760 mmHg
• Flash Point: 186.1°C
• Density: 1.23g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 422.23045342
• Heavy Atom Count: 30
• Complexity: 765

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C(=O)C2(C1CC3C4(C2C(C(C(C4CC(=O)O3)C)OC)OC(=O)C)C)C)O
• Isomeric SMILES: C[C@@H]1C[C@@H](C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H]([C@H]([C@@H]([C@@H]4CC(=O)O3)C)OC)OC(=O)C)C)C)O