Products 1290606-22-2

CAS 1290606-22-2 appears in our catalog under these names: 28-demethyl-28-ethyl-Rapamycin, Rapamycin Impurity 12. Offered by: Chemat Brand. Available pack sizes: on request.

28-demethyl-28-ethyl-Rapamycin
Chemat Brand
  • size: on request
  • Variants: 1
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Rapamycin Impurity 12
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(1R,9S,12S,15R,18R,19R,21R,23S,30S,32S,35R)-15-ethyl-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-17,21,23,29,35-pentamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone (CAS 1290606-22-2) is a chemical compound with the molecular formula C52H81NO13 and a molecular weight of 928.2 g/mol. IUPAC name: (1R,9S,12S,15R,18R,19R,21R,23S,30S,32S,35R)-15-ethyl-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-17,21,23,29,35-pentamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone. InChIKey: SQCWUKMVVKXLTM-GGASEZKGSA-N.

Identity
Molecular formulaC52H81NO13
Molecular weight928.2 g/mol
IUPAC name(1R,9S,12S,15R,18R,19R,21R,23S,30S,32S,35R)-15-ethyl-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-17,21,23,29,35-pentamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
InChIKeySQCWUKMVVKXLTM-GGASEZKGSA-N
SMILESCC[C@@H]1C=C([C@H]([C@H](C(=O)[C@@H](C[C@@H](C=CC=CC=C([C@H](C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC1=O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)O)C)OC)C)C)C)OC)O)C

Computed by PubChem (NCBI)

Synonyms: 28-demethyl-28-ethyl-Rapamycin
Isomers (same molecular formula)
(1R,9S,12S,15R,18R,19R,21R,23S,30S,32S,35R)-30-ethoxy-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone C52H81NO13
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1-hydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-18,19,30-trimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone C52H81NO13
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-35-ethyl-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29-pentamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone C52H81NO13