Products 944242-31-3

CAS 944242-31-3 appears in our catalog under these names: (13S)-13-O-Methylamphotericin B, Amphotericin B Impurity D. Offered by: Chemat Brand. Available pack sizes: on request.

(13S)-13-O-Methylamphotericin B
Chemat Brand
  • size: on request
  • Variants: 1
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Amphotericin B Impurity D
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(1S,3S,5R,6R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-3,5,6,9,11,17,37-heptahydroxy-1-methoxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid (CAS 944242-31-3) is a chemical compound with the molecular formula C48H75NO17 and a molecular weight of 938.1 g/mol. IUPAC name: (1S,3S,5R,6R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-3,5,6,9,11,17,37-heptahydroxy-1-methoxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid. InChIKey: IJLVDQCUUOUTLI-NFECCROQSA-N.

Identity
Molecular formulaC48H75NO17
Molecular weight938.1 g/mol
IUPAC name(1S,3S,5R,6R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-3,5,6,9,11,17,37-heptahydroxy-1-methoxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
InChIKeyIJLVDQCUUOUTLI-NFECCROQSA-N
SMILESC[C@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](C[C@H]2[C@@H]([C@H](C[C@@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)OC)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O

Computed by PubChem (NCBI)

Synonyms: Amphotericin B Impurity D, Amphotericin B ChP Impurity D((13S)-13-O-Methylamphotericin)
Related forms of this compound
(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5,6,9,11,17,37-heptahydroxy-1-methoxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid C48H75NO17
Isomers (same molecular formula)
methyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate C48H75NO17