Products 204185-91-1

CAS 204185-91-1 is the registry number for Caesalmin E. Offered by: Biosynth, MedChemExpress. Available pack sizes: 25mg, 10mg, 50mg, Get quote.

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

[(1S,4aR,5S,6R,6aS,7S,11aS,11bS)-5,6-diacetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-1-yl] acetate (CAS 204185-91-1) is a chemical compound with the molecular formula C26H36O9 and a molecular weight of 492.6 g/mol. IUPAC name: [(1S,4aR,5S,6R,6aS,7S,11aS,11bS)-5,6-diacetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-1-yl] acetate. InChIKey: ZMDJQZBKCANBDV-GZEDFXFRSA-N.

Identity
Molecular formulaC26H36O9
Molecular weight492.6 g/mol
IUPAC name[(1S,4aR,5S,6R,6aS,7S,11aS,11bS)-5,6-diacetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-1-yl] acetate
InChIKeyZMDJQZBKCANBDV-GZEDFXFRSA-N
SMILESCC(=O)O[C@H]1CCC([C@]2([C@]1([C@H]3CC4=C(C=CO4)[C@@]([C@@H]3[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)O)C)O)(C)C

Computed by PubChem (NCBI)

Synonyms: CAESALMIN E, orb1683021