12-O-Acetylphorbol-13-tigliate

Base Information

• Chemical Name: 12-O-Acetylphorbol-13-tigliate
• CAS No.: 250268-55-4
• Molecular Formula: C27H36 O8
• Molecular Weight: 488.5699
• Wikidata: Q105329488
• Mol file: 250268-55-4.mol

Synonyms:12-O-Acetylphorbol-13-tigliate;250268-55-4;2-Butenoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-(acetyloxy)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester, (2E)-(;2-Butenoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-(acetyloxy)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester, (2E)- (

Chemical Property of 12-O-Acetylphorbol-13-tigliate

Chemical Property:

• Vapor Pressure: 7.19E-18mmHg at 25°C
• Boiling Point: 618.2°Cat760mmHg
• Flash Point: 200.7°C
• Density: 1.3g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 488.24101810
• Heavy Atom Count: 35
• Complexity: 1080

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC12C(C1(C)C)C3C=C(CC4(C(C3(C(C2OC(=O)C)C)O)C=C(C4=O)C)O)CO
• Isomeric SMILES: C/C=C(/C)\C(=O)O[C@@]12[C@@H]([C@H]([C@]3(C(C1C2(C)C)C=C(C[C@]4(C3C=C(C4=O)C)O)CO)O)C)OC(=O)C