Products 345954-00-9

CAS 345954-00-9 appears in our catalog under these names: Wilfornine A, Wilfornine A. Offered by: Chemat Brand, GLPBio, Biosynth. Available pack sizes: on request, 5mg, 10mg, 25mg, 50mg.

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

[(1S,3R,15R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-19,20,22,23,25-pentaacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-15-yl] benzoate (CAS 345954-00-9) is a chemical compound with the molecular formula C45H51NO20 and a molecular weight of 925.9 g/mol. IUPAC name: [(1S,3R,15R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-19,20,22,23,25-pentaacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-15-yl] benzoate. InChIKey: YJDNHPICMWQYIV-VTPOCOLISA-N.

Identity
Molecular formulaC45H51NO20
Molecular weight925.9 g/mol
IUPAC name[(1S,3R,15R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-19,20,22,23,25-pentaacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-15-yl] benzoate
InChIKeyYJDNHPICMWQYIV-VTPOCOLISA-N
SMILESCC(=O)OC[C@]12[C@@H]([C@@H]([C@@H]3[C@H]([C@]14[C@@]([C@H]([C@@H]([C@@H]2OC(=O)C)OC(=O)C)OC(=O)[C@](CCC5=C(C=CC=N5)C(=O)OC[C@@]3(O4)C)(C)OC(=O)C6=CC=CC=C6)(C)O)OC(=O)C)OC(=O)C)OC(=O)C

Computed by PubChem (NCBI)