Paclitaxel octadecanedioate
HIT214321120
sdf文件结构编辑类似物检索
HIT ID: HIT214321120
Cas No: 2089211-45-8
分子式: C65H83NO17
分子量: 1150.369
常用名: Paclitaxel octadecanedioate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 18-{[(2R,3S)-1-{[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-15-yl]oxy}-1-oxo-3-phenyl-3-(phenylformamido)propan-2-yl]oxy}-18-oxooctadecanoic acid
IUPAC: 18-{[(2R,3S)-1-{[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-15-yl]oxy}-1-oxo-3-phenyl-3-(phenylformamido)propan-2-yl]oxy}-18-oxooctadecanoic acid
SMILES: [H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=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](OC(=O)CCCCCCCCCCCCCCCCC(O)=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:14|
SMILES: [H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=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](OC(=O)CCCCCCCCCCCCCCCCC(O)=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:14|
InChI key: NQJFZDIRENPICR-SNNBKDRYSA-N
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SC
156035日内发货 购物车
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