Products 116159-73-0
CAS 116159-73-0 is the registry number for Celangulin, 95.93%. Offered by: MedChemExpress. Available pack sizes: 5 mg, 1 mg.
[(1S,2S,4S,5R,6S,7S,9R,12R)-4,5,8,12-tetraacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate (CAS 116159-73-0) is a chemical compound with the molecular formula C32H40O14 and a molecular weight of 648.6 g/mol. IUPAC name: [(1S,2S,4S,5R,6S,7S,9R,12R)-4,5,8,12-tetraacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate. InChIKey: SIEZSHWOPJNWFA-YRJKAWBZSA-N.
| Molecular formula | C32H40O14 |
|---|---|
| Molecular weight | 648.6 g/mol |
| IUPAC name | [(1S,2S,4S,5R,6S,7S,9R,12R)-4,5,8,12-tetraacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate |
| InChIKey | SIEZSHWOPJNWFA-YRJKAWBZSA-N |
| SMILES | CC(=O)OC[C@@]12[C@H]([C@H](C[C@]([C@@]13[C@@H]([C@@H](C([C@H]2OC(=O)C4=CC=CC=C4)OC(=O)C)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C)OC(=O)C |
Computed by PubChem (NCBI)
Synonyms:
Celangulin, orb1942017