Name: Lithooxazoline
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219648698
Cas No:
常用名:Lithooxazoline
IUPAC:(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol
IUPAC:(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol
InChI key:InChIKey=IWBRPFCTPVMWIJ-CUYCEIPOSA-N

分子式:C28H47NO2
分子量:429.689
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC1=NC(C)(C)CO1
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC1=NC(C)(C)CO1

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