2'-Acetylglaucarubinone

Base Information

• Chemical Name: 2'-Acetylglaucarubinone
• CAS No.: 33957-83-4
• Molecular Formula: C27H36O11
• Molecular Weight: 536.5681
• DSSTox Substance ID: DTXSID30955539
• Wikidata: Q82935188
• Mol file: 33957-83-4.mol

Synonyms:2'-Acetylglaucarubinone;33957-83-4;Picras-3-ene-2,16-dione, 15-(2-(acetyloxy)-2-methyl-1-oxobutoxy)-11,20-epoxy-1,11,12-trihydroxy-, (1beta,11beta,12alpha,14beta)-;DTXSID30955539;1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 2-(acetyloxy)-2-methylbutanoate

Chemical Property of 2'-Acetylglaucarubinone

Chemical Property:

• Vapor Pressure: 4.03E-24mmHg at 25°C
• Boiling Point: 722.7°Cat760mmHg
• Flash Point: 238.2°C
• Density: 1.41g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 536.22576196
• Heavy Atom Count: 38
• Complexity: 1130

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C)OC(=O)C
• Isomeric SMILES: CCC(C)(C(=O)O[C@@H]1[C@H]2[C@H]([C@H](C3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)C)OC(=O)C