Ascrolimus

cas: 148147-65-3 — see every product listed under this CAS number, including other names

Ascrolimus (CAS 148147-65-3) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas148147-65-3
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Structural formula: {0} (CAS {1})

(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-12-[(E)-1-[(1R,3R,4S)-3-methoxy-4-(tetrazol-1-yl)cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone (CAS 148147-65-3) is a chemical compound with the molecular formula C44H69N5O11 and a molecular weight of 844.0 g/mol. IUPAC name: (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-12-[(E)-1-[(1R,3R,4S)-3-methoxy-4-(tetrazol-1-yl)cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone. InChIKey: HIEKJRVYXXINKH-ADVKXBNGSA-N.

Identity
Molecular formulaC44H69N5O11
Molecular weight844.0 g/mol
IUPAC name(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-12-[(E)-1-[(1R,3R,4S)-3-methoxy-4-(tetrazol-1-yl)cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
InChIKeyHIEKJRVYXXINKH-ADVKXBNGSA-N
SMILESCC[C@@H]1/C=C(/C[C@@H](C[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](CC1=O)O)C)/C(=C/[C@@H]4CC[C@@H]([C@@H](C4)OC)N5C=NN=N5)/C)O)C)OC)OC)C)\C

Computed by PubChem (NCBI)

Synonyms: Ascrolimus

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