12-Deoxy-phorbol-13-dodecenoate

Base Information

• Chemical Name: 12-Deoxy-phorbol-13-dodecenoate
• CAS No.: 56530-48-4
• Molecular Formula: C32H49O6
• Molecular Weight: 528.80
• Mol file: 56530-48-4.mol

Synonyms:12-Deoxy-phorbol-13-dodecenoate;12-Deoxyphorbol-13-dodecenoate;5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-4a-beta,7b-alpha,9a-alpha-trihydroxy-, 9a-dodecenoate;56530-48-4;LS-58461;Dodecenoic acid, 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, [1aR-(1a.alpha.,1b.beta.,4a.beta.,7a.alpha.,7b.alpha.,8.alpha.,9a.alpha.)]-

Chemical Property of 12-Deoxy-phorbol-13-dodecenoate

Chemical Property:

• Vapor Pressure: 1.02E-19mmHg at 25°C
• Boiling Point: 651.3°Cat760mmHg
• Flash Point: 201.9°C
• Density: 1.17g/cm³
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 528.34508925
• Heavy Atom Count: 38
• Complexity: 1020

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC=CC(=O)OC12CC(C3(C(C1C2(C)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C
• Isomeric SMILES: CCCCCCCCC/C=C/C(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C