(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%

cas: 403505-80-6 — see every product listed under this CAS number, including other names

(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% (CAS 403505-80-6) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: Chemat.

• 2D
• 3D

[(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.

Identity

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

Isomers (same molecular formula)

[(1S,2R,3S,4R,5R,6S,8S,10R,11R,15S)-3,4,6,11-tetraacetyloxy-2,8-dihydroxy-1,15-dimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-5-yl]methyl benzoate C₃₅H₄₂O₁₄

[(1S,2S,4S,5R,6S,7S,8S,9S)-4,5-diacetyloxy-7-benzoyloxy-2,12-dihydroxy-2,10,10-trimethyl-8-(2-methylpropanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl furan-2-carboxylate C₃₅H₄₂O₁₄