Celangulin III

cas: 144379-42-0 — see every product listed under this CAS number, including other names

Celangulin III (CAS 144379-42-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

[(1S,2S,4S,5R,7R,8R,9R,12R)-4,5,8,12-tetraacetyloxy-2-hydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate (CAS 144379-42-0) is a chemical compound with the molecular formula C34H44O14 and a molecular weight of 676.7 g/mol. IUPAC name: [(1S,2S,4S,5R,7R,8R,9R,12R)-4,5,8,12-tetraacetyloxy-2-hydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate. InChIKey: ARLOYSQKSCYUOB-CZEMSBAUSA-N.

Identity
Molecular formulaC34H44O14
Molecular weight676.7 g/mol
IUPAC name[(1S,2S,4S,5R,7R,8R,9R,12R)-4,5,8,12-tetraacetyloxy-2-hydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
InChIKeyARLOYSQKSCYUOB-CZEMSBAUSA-N
SMILESCC(C)C(=O)OCC12[C@H]([C@H](C[C@]([C@@]13[C@@H]([C@@H]([C@H]([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 III

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