Domoprednate
HIT214319406
sdf文件结构编辑类似物检索
HIT ID: HIT214319406
Cas No: 66877-67-6
分子式: C26H36O5
分子量: 428.569
常用名: Domoprednate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,4aS,4bS,10aR,10bS,11S,12aS)-1-acetyl-11-hydroxy-10a,12a-dimethyl-8-oxo-1,2,3,4,4a,4b,5,6,8,10a,10b,11,12,12a-tetradecahydrochrysen-1-yl butanoate
IUPAC: (1R,4aS,4bS,10aR,10bS,11S,12aS)-1-acetyl-11-hydroxy-10a,12a-dimethyl-8-oxo-1,2,3,4,4a,4b,5,6,8,10a,10b,11,12,12a-tetradecahydrochrysen-1-yl butanoate
SMILES: [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CCC[C@]1(OC(=O)CCC)C(C)=O |c:8,t:4|
SMILES: [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CCC[C@]1(OC(=O)CCC)C(C)=O |c:8,t:4|
InChI key: IYBYNRHXGXDDDS-VRRJBYJJSA-N
共显示1个结果
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