Products 78454-17-8

CAS 78454-17-8 appears in our catalog under these names: Paclitaxel EP Impurity H (Paclitaxel USP Related Compound B, 7-epi-10-Desacetyl-Paclitaxel), 7-Epi 10-Desacetyl Paclitaxel, >95% (HPLC), 10-O-Deacetyl-7-epi-paclitaxel, 7-Epi 10-desacetyl paclitaxel/ 98.05% (existing batch purity), 7-Epi 10-desacetyl paclitaxel. Offered by: Chemat Brand, TRC, Mikromol, TargetMol, Biosynth. Available pack sizes: on request, 10mg, 2,5mg, 25mg, 5mg, 100mg, 50mg, 2mg.

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

[(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CAS 78454-17-8) is a chemical compound with the molecular formula C45H49NO13 and a molecular weight of 811.9 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate. InChIKey: TYLVGQKNNUHXIP-DIYBZAJCSA-N.

Identity
Molecular formulaC45H49NO13
Molecular weight811.9 g/mol
IUPAC name[(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChIKeyTYLVGQKNNUHXIP-DIYBZAJCSA-N
SMILESCC1=C2[C@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O

Computed by PubChem (NCBI)