12-Deoxyphorbol-13-(4-acetoxyphenylacetate)-20-acetate
[8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(4-acetyloxyphenyl)acetate
Also Known As: 12-Deoxyphorbol-13-(4-acetoxyphenylacetate)-20-acetate|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-4a-beta,7b-alpha,9a-alpha-trihydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 3-acetate 9a-(4-acetoxyphenylacetate)|3-[(Acetyloxy)methyl]-4a,7b-dihydroxy-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 [4-(acetyloxy)phenyl]acetate
| Molecular Formula | C32H38O9 |
|---|---|
| Molecular Weight | 566.2516 g/mol |
| LogP | 3.249 |
| Topological Polar Surface Area | 136.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 566.2516 |
| Monoisotopic Mass | 566.2516 |
| Heavy Atoms | 41 |
| Complexity | 1371.6743 |
Chemical Identifiers
| CAS Number | 69883-99-4 |
|---|---|
| SMILES | CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)COC(=O)C)O)C)O)OC(=O)CC5=CC=C(C=C5)OC(=O)C |
Product Overview
12-Deoxyphorbol-13-(4-acetoxyphenylacetate)-20-acetate (CAS 69883-99-4), with molecular formula C32H38O9 and molecular weight 566.2516 g/mol. IUPAC: [8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(4-acetyloxyphenyl)acetate.