Tacrolimus Diene Impurity

cas: 104987-16-8 — see every product listed under this CAS number, including other names

Tacrolimus Diene Impurity (CAS 104987-16-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberAO-T0018.05
cas104987-16-8
sizeon request
availability In stock
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Structural formula: {0} (CAS {1})

(1R,9S,12S,13R,14E,17R,18E,21S,23S,24R,25S,27R)-1-hydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-14,18-diene-2,3,10,16-tetrone (CAS 104987-16-8) is a chemical compound with the molecular formula C44H67NO11 and a molecular weight of 786.0 g/mol. IUPAC name: (1R,9S,12S,13R,14E,17R,18E,21S,23S,24R,25S,27R)-1-hydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-14,18-diene-2,3,10,16-tetrone. InChIKey: PLHJNIVKYISEQW-ADGUVUBISA-N.

Identity
Molecular formulaC44H67NO11
Molecular weight786.0 g/mol
IUPAC name(1R,9S,12S,13R,14E,17R,18E,21S,23S,24R,25S,27R)-1-hydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-14,18-diene-2,3,10,16-tetrone
InChIKeyPLHJNIVKYISEQW-ADGUVUBISA-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=C/C(=O)[C@@H](/C=C(/C1)\C)CC=C)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC

Computed by PubChem (NCBI)

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