Name: 4-hydroxyestrone-4-methyl ether
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214435308
Cas No:58562-33-7
常用名:4-hydroxyestrone-4-methyl ether
别名:4-甲氧基雌酮, 4-Methoxy Estrone
IUPAC:(3aS,3bR,9bS,11aS)-11a-({[(3aS,3bR,9bS,11aS)-7-hydroxy-6-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ylidene]-lambda3-oxy}methyl)-7-hydroxy-6-methoxy-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
IUPAC:(3aS,3bR,9bS,11aS)-11a-({[(3aS,3bR,9bS,11aS)-7-hydroxy-6-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ylidene]-lambda3-oxy}methyl)-7-hydroxy-6-methoxy-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
InChI key:UCOZYASXIFFVGM-GKNBHVDKSA-N

分子式:C38H47O6
分子量:599.788
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1c(O)ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=[O]C[C@]45CC[C@H]6[C@@H](CCc7c6ccc(O)c7OC)[C@@H]4CCC5=O)[C@@H]3CCc12
SMILES:COc1c(O)ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=[O]C[C@]45CC[C@H]6[C@@H](CCc7c6ccc(O)c7OC)[C@@H]4CCC5=O)[C@@H]3CCc12

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