Name: 7-Epi 10-desacetyl paclitaxel
Rating: 5 (10 reviews)

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HIT ID:HIT212652403
Cas No:78454-17-8
常用名:7-Epi 10-desacetyl paclitaxel
别名:7-表-10-去乙酰基云南紫杉宁A, 7-Epi-10-deacetyltaxol, 10-Deacetyl-7-epipaclitaxel
别名:7-表-10-去乙酰基云南紫杉宁A, 7-Epi-10-deacetyltaxol, 10-Deacetyl-7-epipaclitaxel
IUPAC:(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-(acetyloxy)-1,9,12-trihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
IUPAC:(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-(acetyloxy)-1,9,12-trihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
InChI key:TYLVGQKNNUHXIP-DIYBZAJCSA-N

分子式:C45H49NO13
分子量:811.881
氢键供体数 (HBD):5
氢键受体数 (HBA):10
LogP:3.0977147
SMILES:[H][C@@]12C[C@@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:11|
SMILES:[H][C@@]12C[C@@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:11|

7-Epi 10-desacetyl paclitaxel (10-Deacetyl-7-epipaclitaxel) 是紫杉醇衍生物，对 HeLa 细胞具有细胞毒性(IC50:85 μM)。

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