Products 1174223-49-4

CAS 1174223-49-4 is the registry number for 22-Thiocyanatosalvinorin A. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-9-(2-thiocyanatoacetyl)oxy-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate (CAS 1174223-49-4) is a chemical compound with the molecular formula C24H27NO8S and a molecular weight of 489.5 g/mol. IUPAC name: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-9-(2-thiocyanatoacetyl)oxy-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate. InChIKey: AZPUAKGNQXURGA-ZWLNRFIDSA-N.

Identity
Molecular formulaC24H27NO8S
Molecular weight489.5 g/mol
IUPAC namemethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-9-(2-thiocyanatoacetyl)oxy-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
InChIKeyAZPUAKGNQXURGA-ZWLNRFIDSA-N
SMILESC[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)OC(=O)CSC#N)C)C4=COC=C4

Computed by PubChem (NCBI)

Synonyms: orb2802125