12-Deoxy-phorbol-13-dodecanoate

Base Information

• Chemical Name: 12-Deoxy-phorbol-13-dodecanoate
• CAS No.: 56530-47-3
• Molecular Formula: C32H50O6
• Molecular Weight: 530.82
• DSSTox Substance ID: DTXSID70971975
• ChEMBL ID: CHEMBL4586202

Synonyms:12-Deoxy-phorbol-13-dodecanoate;12-Deoxyphorbol-13-dodecanoate;56530-47-3;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-dodecanoate;CHEMBL4586202;DTXSID70971975;LS-58460;4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl dodecanoate;Dodecanoic 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-dodecanoate

Chemical Property:

• Vapor Pressure: 1.72E-19mmHg at 25°C
• Boiling Point: 647.3°C at 760 mmHg
• Flash Point: 199.7°C
• Density: 1.15g/cm³
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 530.36073931
• Heavy Atom Count: 38
• Complexity: 980

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)OC12CC(C3(C(C1C2(C)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C
• Isomeric SMILES: CCCCCCCCCCCC(=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

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