Name: 1-Hydroxybaccatin I
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315485
Cas No:30244-37-2
常用名:1-Hydroxybaccatin I
IUPAC:(1'S,2R,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',9',10',13'-pentakis(acetyloxy)-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0^{3,8}]pentadecan]-11'-en-7'-yl acetate
IUPAC:(1'S,2R,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',9',10',13'-pentakis(acetyloxy)-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0^{3,8}]pentadecan]-11'-en-7'-yl acetate
InChI key:LUTPIRPNUNHFEV-MBMCFSISSA-N

分子式:C32H44O14
分子量:652.69
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@H](OC(C)=O)[C@]3(O)C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)[C@H](C[C@H](OC(C)=O)[C@]21CO1)OC(C)=O)C3(C)C |t:16|
SMILES:[H][C@]12[C@H](OC(C)=O)[C@]3(O)C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)[C@H](C[C@H](OC(C)=O)[C@]21CO1)OC(C)=O)C3(C)C |t:16|

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