Alemcinal
HIT212694698
sdf文件结构编辑类似物检索
HIT ID: HIT212694698
Cas No: 150785-53-8
分子式: C38H67NO10
分子量: 697.951
常用名: Alemcinal
氢键受体数 (HBA): 10
氢键供体数 (HBD): 2
LogP: 4.56249
IUPAC: (2R,3S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-11-{[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy}-3-hydroxy-9-{[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
IUPAC: (2R,3S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-11-{[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy}-3-hydroxy-9-{[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C |c:42|
SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C |c:42|
InChI key: IWTSXJNGTTXMFK-KTQUSEMZSA-N
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