Tacrolimus Impurity 16

cas: 133941-75-0 — see every product listed under this CAS number, including other names

Tacrolimus Impurity 16 (CAS 133941-75-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULT3932
cas133941-75-0
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

(1R,9S,12S,13S,14S,17R,18E,21S,23S,24R,25S,27R)-14-[tert-butyl(dimethyl)silyl]oxy-12-[(E)-1-[(1R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl]prop-1-en-2-yl]-1-hydroxy-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 133941-75-0) is a chemical compound with the molecular formula C56H97NO12Si2 and a molecular weight of 1032.5 g/mol. IUPAC name: (1R,9S,12S,13S,14S,17R,18E,21S,23S,24R,25S,27R)-14-[tert-butyl(dimethyl)silyl]oxy-12-[(E)-1-[(1R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl]prop-1-en-2-yl]-1-hydroxy-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: ZMQPVYFWZQHALN-SWHZMJOBSA-N.

Identity
Molecular formulaC56H97NO12Si2
Molecular weight1032.5 g/mol
IUPAC name(1R,9S,12S,13S,14S,17R,18E,21S,23S,24R,25S,27R)-14-[tert-butyl(dimethyl)silyl]oxy-12-[(E)-1-[(1R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl]prop-1-en-2-yl]-1-hydroxy-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
InChIKeyZMQPVYFWZQHALN-SWHZMJOBSA-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[Si](C)(C)C(C)(C)C)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)

Synonyms: 24,32-Bis-O-(tert-butyldimethylsilyl)-FK-506
Related forms of this compound
(1R,9S,12S,13S,14S,17R,21S,23S,24R,25S,27R)-14-[tert-butyl(dimethyl)silyl]oxy-12-[(E)-1-[(1R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl]prop-1-en-2-yl]-17-(3,3-dideuterio(313C)prop-2-enyl)-1-hydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone C56H97NO12Si2

Also listed as

24,32-Bis-O-(tert-butyldimethylsilyl)-FK-506 TRC CAS 133941-75-0