Name: 10-Oxo Docetaxel
Rating: 5 (10 reviews)

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HIT ID:HIT212664901
Cas No:167074-97-7
常用名:10-Oxo Docetaxel
别名:Docetaxel Impurity 1, 10-氧多西他赛
IUPAC:(1S,2S,3R,4S,7R,9S,10S,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,9-dihydroxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
IUPAC:(1S,2S,3R,4S,7R,9S,10S,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,9-dihydroxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
InChI key:ZOLQDWANVNOXBK-YYCGEXIESA-N

分子式:C43H51NO14
分子量:805.874
氢键供体数 (HBD):4
氢键受体数 (HBA):10
LogP:3.9885347
SMILES:CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C(C(=O)C1=O)C2(C)C |t:53|
SMILES:CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C(C(=O)C1=O)C2(C)C |t:53|

10-Oxo Docetaxel is a Docetaxel intermediate having remarkable antitumor properties.

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