Name: Methylprednisolone Aceponate
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT100876759
Cas No:86401-95-8
常用名:Methylprednisolone Aceponate
别名:醋丙甲泼尼龙, SH-440, SH440, SH 440, MPA, Advantan
别名:醋丙甲泼尼龙, SH-440, SH440, SH 440, MPA, Advantan
IUPAC:(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1-[2-(acetyloxy)acetyl]-10-hydroxy-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate
IUPAC:(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1-[2-(acetyloxy)acetyl]-10-hydroxy-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate
InChI key:DALKLAYLIPSCQL-YPYQNWSCSA-N

分子式:C27H36O7
分子量:472.578
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:3.1427958
SMILES:CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O |c:17,t:13|
SMILES:CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O |c:17,t:13|

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