Products 104987-25-9

CAS 104987-25-9 is the registry number for Tacrolimus Impurity 15. Offered by: Chemat Brand. Available pack sizes: on request.

Tacrolimus Impurity 15
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl]prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone (CAS 104987-25-9) is a chemical compound with the molecular formula C50H83NO12Si and a molecular weight of 918.3 g/mol. IUPAC name: (1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl]prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone. InChIKey: ABAYYJOOEGBVFI-BGGVTQJSSA-N.

Identity
Molecular formulaC50H83NO12Si
Molecular weight918.3 g/mol
IUPAC name(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl]prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
InChIKeyABAYYJOOEGBVFI-BGGVTQJSSA-N
SMILESC[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O[Si](C)(C)C(C)(C)C)/C)O)C)OC)OC

Computed by PubChem (NCBI)