Products 1000784-44-0
CAS 1000784-44-0 appears in our catalog under these names: Celangulatin C, Celangulatin C, ≥98%. Offered by: MedChemExpress, Chemat. Available pack sizes: Get quote, 5mg.
[(1S,2S,4S,5R,6S,7S,8S,9S)-4,5,8-triacetyloxy-2,12-dihydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate (CAS 1000784-44-0) is a chemical compound with the molecular formula C32H42O13 and a molecular weight of 634.7 g/mol. IUPAC name: [(1S,2S,4S,5R,6S,7S,8S,9S)-4,5,8-triacetyloxy-2,12-dihydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate. InChIKey: QCSQJHAIHSGQLC-DHDOOOSMSA-N.
| Molecular formula | C32H42O13 |
|---|---|
| Molecular weight | 634.7 g/mol |
| IUPAC name | [(1S,2S,4S,5R,6S,7S,8S,9S)-4,5,8-triacetyloxy-2,12-dihydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate |
| InChIKey | QCSQJHAIHSGQLC-DHDOOOSMSA-N |
| SMILES | CC(C)C(=O)OC[C@@]12[C@H]([C@H](C[C@]([C@@]13C([C@@H]([C@@H]([C@H]2OC(=O)C4=CC=CC=C4)OC(=O)C)C(O3)(C)C)O)(C)O)OC(=O)C)OC(=O)C |
Computed by PubChem (NCBI)
Synonyms:
Celangulatin C, orb1981895