Products 133524-70-6

CAS 133524-70-6 is the registry number for Paclitaxel Impurity 71(N-Debenzoyltaxol). Offered by: Chemat Brand. Available pack sizes: on request.

Paclitaxel Impurity 71(N-Debenzoyltaxol)
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

3'-N-debenzoyltaxol is a taxane diterpenoid that is paclitaxel which is lacking the N-benzoyl group. It is a biosynthetic precursor of paclitaxel. It has a role as a metabolite. It is an acetate ester, a taxane diterpenoid, a primary amino compound and a tetracyclic diterpenoid. It is functionally related to a baccatin III. It is a conjugate base of a 3'-N-debenzoyltaxol(1+).

Source: ChEBI

Identity
Molecular formulaC40H47NO13
Molecular weight749.8 g/mol
IUPAC name[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChIKeyDLACRDONFBNRSP-KWIOUIIFSA-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)N)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: N-Debenzoyltaxol, N-debenzoylpaclitaxel, 3'-N-Debenzoyltaxol, 3'-debenzoylpaclitaxel, 3'-N-debenzoylpaclitaxel, 13-O-3-Phenylisoserinoyl baccatin III, N-debenzoyl-paclitaxel, DLACRDONFBNRSP-KWIOUIIFSA-N, Paclitaxel Impurity 71(N-Debenzoyltaxol)
Isomers (same molecular formula)
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-15-[(2R,3S)-3-acetamido-2-hydroxy-3-phenylpropanoyl]oxy-4-acetyloxy-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 C40H47NO13