Products 2987177-46-6

CAS 2987177-46-6 is the registry number for Mono-Methylated Fidaxomicin. Offered by: TRC. Available pack sizes: 5mg.

Mono-Methylated Fidaxomicin
TRC
  • size: 5mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

[(2R,3S,4S,5S,6R)-6-[[(3E,5Z,8S,9E,11S,13E,15E,18S)-12-[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-6-hydroxy-4-methoxybenzoate (CAS 2987177-46-6) is a chemical compound with the molecular formula C53H76Cl2O18 and a molecular weight of 1072.1 g/mol. IUPAC name: [(2R,3S,4S,5S,6R)-6-[[(3E,5Z,8S,9E,11S,13E,15E,18S)-12-[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-6-hydroxy-4-methoxybenzoate. InChIKey: UUTHUUXLHFIBEW-HXNSEUMSSA-N.

Identity
Molecular formulaC53H76Cl2O18
Molecular weight1072.1 g/mol
IUPAC name[(2R,3S,4S,5S,6R)-6-[[(3E,5Z,8S,9E,11S,13E,15E,18S)-12-[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-6-hydroxy-4-methoxybenzoate
InChIKeyUUTHUUXLHFIBEW-HXNSEUMSSA-N
SMILESCC[C@H]1/C=C(/[C@H](C/C=C\C=C(\C(=O)O[C@@H](C/C=C(/C=C(/C1O[C@H]2[C@H]([C@H]([C@@H](C(O2)(C)C)OC(=O)C(C)C)O)O)\C)\C)[C@@H](C)O)/CO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)OC)Cl)CC)O)OC)O)\C

Computed by PubChem (NCBI)

Synonyms: Mono-Methylated Fidaxomicin