Baccatin IX
HIT214315713
sdf文件结构编辑类似物检索
HIT ID: HIT214315713
Cas No: 1623410-12-7
分子式: C31H40O12
分子量: 604.649
常用名: Baccatin IX
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,2S,3R,4S,7R,9S,10S,11R,12R,15R,16S)-4,12-bis(acetyloxy)-1,9,11,15,16-pentahydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
IUPAC: (1R,2S,3R,4S,7R,9S,10S,11R,12R,15R,16S)-4,12-bis(acetyloxy)-1,9,11,15,16-pentahydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
SMILES: [H][C@@]12C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C4=C(C)[C@@H](O)[C@H](O)[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C |c:14|
SMILES: [H][C@@]12C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C4=C(C)[C@@H](O)[C@H](O)[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C |c:14|
InChI key: YFNJMSUUYCXOBD-UNRSFZBISA-N
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