12-O-Tigloylphorbol-13-(2-methylbutyrate)

Base Information

• Chemical Name: 12-O-Tigloylphorbol-13-(2-methylbutyrate)
• CAS No.: 250268-57-6
• Molecular Formula: C30H42 O8
• Molecular Weight: 530.6497
• Mol file: 250268-57-6.mol

Synonyms:12-O-Tigloylphorbol-13-(2-methylbutyrate);250268-57-6;2-Butenoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9a-(2-methyl-1-oxobutoxy)-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (2E)-(;[(1S,6R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(Z)-2-methylbut-2-enoyl]oxy-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylbutanoate;[dihydroxy-(hydroxymethyl)-tetramethyl-[(Z)-2-methylbut-2-enoyl]oxy-oxo-[?]yl] 2-methylbutanoate;2-Butenoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9a-(2-methyl-1-oxobutoxy)-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (2E)- (

Chemical Property of 12-O-Tigloylphorbol-13-(2-methylbutyrate)

Chemical Property:

• Vapor Pressure: 1.89E-19mmHg at 25°C
• Boiling Point: 646.6°C at 760 mmHg
• Flash Point: 203.8°C
• Density: 1.25g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 530.28796829
• Heavy Atom Count: 38
• Complexity: 1150

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(=O)OC12C(C1(C)C)C3C=C(CC4(C(C3(C(C2OC(=O)C(=CC)C)C)O)C=C(C4=O)C)O)CO
• Isomeric SMILES: CCC(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(=C\C)/C