Tacrolimus Impurity 9

cas: 1700657-83-5 — see every product listed under this CAS number, including other names

Tacrolimus Impurity 9 (CAS 1700657-83-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-T031235
cas1700657-83-5
sizeon request
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Structural formula: {0} (CAS {1})

(4R,6S,7R,8S,10S,12E,14R,17S,18R,19S,22S)-3,7,17-trihydroxy-19-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-6,8-dimethoxy-4,10,12,18-tetramethyl-2,15,21-trioxo-14-prop-2-enyl-20-oxa-1-azabicyclo[20.4.0]hexacos-12-ene-3-carboxylic acid (CAS 1700657-83-5) is a chemical compound with the molecular formula C44H71NO13 and a molecular weight of 822.0 g/mol. IUPAC name: (4R,6S,7R,8S,10S,12E,14R,17S,18R,19S,22S)-3,7,17-trihydroxy-19-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-6,8-dimethoxy-4,10,12,18-tetramethyl-2,15,21-trioxo-14-prop-2-enyl-20-oxa-1-azabicyclo[20.4.0]hexacos-12-ene-3-carboxylic acid. InChIKey: UJYIGARKMOMKSG-ONCIHNGKSA-N.

Identity
Molecular formulaC44H71NO13
Molecular weight822.0 g/mol
IUPAC name(4R,6S,7R,8S,10S,12E,14R,17S,18R,19S,22S)-3,7,17-trihydroxy-19-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-6,8-dimethoxy-4,10,12,18-tetramethyl-2,15,21-trioxo-14-prop-2-enyl-20-oxa-1-azabicyclo[20.4.0]hexacos-12-ene-3-carboxylic acid
InChIKeyUJYIGARKMOMKSG-ONCIHNGKSA-N
SMILESC[C@@H]1C[C@@H]([C@H]([C@H](C[C@H](C(C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]3CC[C@H]([C@@H](C3)OC)O)/C)(C(=O)O)O)C)OC)O)OC

Computed by PubChem (NCBI)

Synonyms: Tacrolimus Impurity 9
Isomers (same molecular formula)
(5R,7S,8R,9S,11S,13E,15R,18S,19R,20S,23S)-3,3,8,18-tetrahydroxy-20-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-7,9-dimethoxy-5,11,13,19-tetramethyl-15-prop-2-enyl-21-oxa-1-azabicyclo[21.4.0]heptacos-13-ene-2,4,16,22-tetrone C44H71NO13
(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-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]octacos-18-ene-2,3,10,16-tetrone;hydrate C44H71NO13

Also listed as

Tacrolimus Impurity 6 (Tacrolimus Hydroxy Acid Impurity) Chemat Brand CAS 1700657-83-5
Tacrolimus Impurity 32 Chemat Brand CAS 1700657-83-5
Tacrolimus Impurity 22（Tacrolimus Hydroxy Acid Impurity） Hubei YoungXin CAS 1700657-83-5