Products 403505-80-6
CAS 403505-80-6 appears in our catalog under these names: Celangulin XIX, (3S,4S,5S,5aS,6R,7S,9S,9aS,10R)-6,7-Bis(acetyloxy)-5-(benzoyloxy)octahydro-9,10-dihydroxy-2,2,9-trimethyl-5a-[(2-methyl-1-oxopropoxy)methyl]-2H-3,9a-methano-1-benzoxepin-4-yl 3-furancarboxylate, ≥85%. Offered by: MedChemExpress, Chemat. Available pack sizes: Get quote, 5mg.
[(1S,2S,4S,5R,6S,7S,8S,9S)-4,5-diacetyloxy-7-benzoyloxy-2,12-dihydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate (CAS 403505-80-6) is a chemical compound with the molecular formula C35H42O14 and a molecular weight of 686.7 g/mol. IUPAC name: [(1S,2S,4S,5R,6S,7S,8S,9S)-4,5-diacetyloxy-7-benzoyloxy-2,12-dihydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate. InChIKey: RIOWQBKQTCGNEP-AYXGDJHISA-N.
| Molecular formula | C35H42O14 |
|---|---|
| Molecular weight | 686.7 g/mol |
| IUPAC name | [(1S,2S,4S,5R,6S,7S,8S,9S)-4,5-diacetyloxy-7-benzoyloxy-2,12-dihydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate |
| InChIKey | RIOWQBKQTCGNEP-AYXGDJHISA-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)C5=COC=C5)C(O3)(C)C)O)(C)O)OC(=O)C)OC(=O)C |
Computed by PubChem (NCBI)
Synonyms:
Celangulin XIX, orb1942018