19-Hydroxybaccatin V
HIT218847197
sdf文件结构编辑类似物检索
HIT ID: HIT218847197
Cas No: 151636-93-0
分子式: C31H38O12
分子量: 602.633
常用名: 19-Hydroxybaccatin V
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2S,3R,4S,7R,9R,10R,12R,15S)-4,12-bis(acetyloxy)-1,9,15-trihydroxy-10-(hydroxymethyl)-14,17,17-trimethyl-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,10R,12R,15S)-4,12-bis(acetyloxy)-1,9,15-trihydroxy-10-(hydroxymethyl)-14,17,17-trimethyl-11-oxo-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(CO)C(=O)[C@H](OC(C)=O)C4=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C
SMILES: [H][C@@]12C[C@@H](O)[C@@]3(CO)C(=O)[C@H](OC(C)=O)C4=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C
InChI key: SYDMVWLQJZBPIU-QZDKRUOYSA-N
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