AC1L7DRQ
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] deca-2,4,6-trienoate
Also Known As: PHORBOL-13-ACETATE,12-O-N-DECA-2,4,6-TRIENOYL- B826416K077
CAS: 41568-95-0
| Molecular Formula | C32H42O8 |
|---|---|
| Molecular Weight | 554.28796 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 554.28796 |
| Monoisotopic Mass | 554.28796 |
| Heavy Atoms | 40 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 41568-95-0 |
|---|---|
| SMILES | CCCC=CC=CC=CC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C |
| InChIKey | UUDRJPRIBMGADE-SVOQZPEWSA-N |
Product Overview
AC1L7DRQ (CAS 41568-95-0), with molecular formula C32H42O8 and molecular weight 554.28796 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] deca-2,4,6-trienoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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