Products 139979-81-0
CAS 139979-81-0 appears in our catalog under these names: Angulatin A, Celangulin V, ≥95%. Offered by: MedChemExpress, Chemat. Available pack sizes: 1 mg, 5 mg, 10 mg, 10mg.
[(2S,4S,5R,6S,7S,8S,9S)-4,5-diacetyloxy-2,12-dihydroxy-2,10,10-trimethyl-8-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate (CAS 139979-81-0) is a chemical compound with the molecular formula C34H46O13 and a molecular weight of 662.7 g/mol. IUPAC name: [(2S,4S,5R,6S,7S,8S,9S)-4,5-diacetyloxy-2,12-dihydroxy-2,10,10-trimethyl-8-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate. InChIKey: HAHJPPZGVANYSD-LMWFANDHSA-N.
| Molecular formula | C34H46O13 |
|---|---|
| Molecular weight | 662.7 g/mol |
| IUPAC name | [(2S,4S,5R,6S,7S,8S,9S)-4,5-diacetyloxy-2,12-dihydroxy-2,10,10-trimethyl-8-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate |
| InChIKey | HAHJPPZGVANYSD-LMWFANDHSA-N |
| SMILES | CC(C)C(=O)OC[C@@]12[C@H]([C@H](C[C@](C13C([C@@H]([C@@H]([C@H]2OC(=O)C4=CC=CC=C4)OC(=O)C(C)C)C(O3)(C)C)O)(C)O)OC(=O)C)OC(=O)C |
Computed by PubChem (NCBI)
Synonyms:
Celangulin V, Angulatin A