seco-Temsirolimus

cas: 1062122-60-4 — see every product listed under this CAS number, including other names

seco-Temsirolimus (CAS 1062122-60-4) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: TRC.

brandTRC
catalog numberTRC-T493000-10MG
cas1062122-60-4
size10mg
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properties

purityNo data
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Structural formula: {0} (CAS {1})

(2S)-1-[2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaenyl]-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylic acid (CAS 1062122-60-4) is a chemical compound with the molecular formula C56H87NO16 and a molecular weight of 1030.3 g/mol. IUPAC name: (2S)-1-[2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaenyl]-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylic acid. InChIKey: IHHUXYJUJZIWOO-YZEJQXLHSA-N.

Identity
Molecular formulaC56H87NO16
Molecular weight1030.3 g/mol
IUPAC name(2S)-1-[2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaenyl]-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylic acid
InChIKeyIHHUXYJUJZIWOO-YZEJQXLHSA-N
SMILESC[C@@H]1CC[C@H](O[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O)O)C[C@@H](/C(=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)[C@@H]([C@@H](/C(=C/[C@@H](C)C(=O)/C=C/[C@H](C)C[C@@H]3CC[C@H]([C@@H](C3)OC)OC(=O)C(C)(CO)CO)/C)O)OC)/C)OC

Computed by PubChem (NCBI)

Synonyms: seco-Temsirolimus
Isomers (same molecular formula)
[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate C56H87NO16
[(1R,2R,4S)-4-[(2R)-2-[(8S,11S,14R,15Z,17R,18R,20R,22S,23Z,25Z,27Z,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-2,9,13,19,35-pentaoxo-10,36-dioxa-3-azatricyclo[29.4.1.03,8]hexatriaconta-15,23,25,27-tetraen-11-yl]propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate C56H87NO16