1-Hydroxylbaccatin I
HIT103086078
sdf文件结构编辑类似物检索
HIT ID: HIT103086078
Cas No:
分子式: C32H44O14
分子量: 652.69
常用名: 1-Hydroxylbaccatin I
氢键受体数 (HBA): 14
氢键供体数 (HBD): 1
LogP: 2.150000000000000e+000
IUPAC: (1'S,2S,2'S,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',7',9',10'-pentakis(acetyloxy)-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0^{3,8}]pentadecan]-11'-en-13'-yl acetate
IUPAC: (1'S,2S,2'S,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',7',9',10'-pentakis(acetyloxy)-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0^{3,8}]pentadecan]-11'-en-13'-yl acetate
SMILES: CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)C3[C@]4(CO4)[C@H](C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O |t:38|
SMILES: CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)C3[C@]4(CO4)[C@H](C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O |t:38|
InChI key: LUTPIRPNUNHFEV-NZLDGQOBSA-N
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