Lanceotoxin A
HIT214317981
sdf文件结构编辑类似物检索
HIT ID: HIT214317981
Cas No: 93771-82-5
分子式: C32H44O12
分子量: 620.692
常用名: Lanceotoxin A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-5a-(acetyloxy)-9a-formyl-3a-hydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanoate
IUPAC: (1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-5a-(acetyloxy)-9a-formyl-3a-hydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanoate
SMILES: [H][C@@]12CC[C@@]3(C[C@H](CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@]21O)c1ccc(=O)oc1)OC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O)OC(C)=O
SMILES: [H][C@@]12CC[C@@]3(C[C@H](CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@]21O)c1ccc(=O)oc1)OC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O)OC(C)=O
InChI key: IDZGCABQJKWSHL-GSMIIGJLSA-N
共显示1个结果
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TargetMol
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106006-8周 购物车
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