25-O-desacetyl-23-Acetyl-Rifabutin (Possibly a mixture with API)

cas: 1242076-43-2 — see every product listed under this CAS number, including other names

25-O-desacetyl-23-Acetyl-Rifabutin (Possibly a mixture with API) (CAS 1242076-43-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULR332
cas1242076-43-2
sizeon request
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Structural formula: {0} (CAS {1})

[(7S,9E,11S,12S,13R,14S,15R,16R,17S,18S,19E,21E)-2,13,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-15-yl] acetate (CAS 1242076-43-2) is a chemical compound with the molecular formula C46H62N4O11 and a molecular weight of 847.0 g/mol. IUPAC name: [(7S,9E,11S,12S,13R,14S,15R,16R,17S,18S,19E,21E)-2,13,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-15-yl] acetate. InChIKey: BSDGNRUPMMCJEF-BAMAYBLUSA-N.

Identity
Molecular formulaC46H62N4O11
Molecular weight847.0 g/mol
IUPAC name[(7S,9E,11S,12S,13R,14S,15R,16R,17S,18S,19E,21E)-2,13,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-15-yl] acetate
InChIKeyBSDGNRUPMMCJEF-BAMAYBLUSA-N
SMILESC[C@H]1/C=C/C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)OC(=O)C)C)O)C)OC)C)C5=NC6(CCN(CC6)CC(C)C)N=C25)O)\C

Computed by PubChem (NCBI)

Synonyms: 25-O-Deacetyl-23-O-acetyl Rifabutin

Also listed as

25-O-Deacetyl-23-O-acetyl Rifabutin TRC CAS 1242076-43-2