21-hydroxy Eplerenone
HIT214320983
sdf文件结构编辑类似物检索
HIT ID: HIT214320983
Cas No: 334678-67-0
分子式: C24H30O7
分子量: 430.497
常用名: 21-hydroxy Eplerenone
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-4-hydroxy-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0^{1,17}.0^{2,7}.0^{11,15}]octadecan]-6'-ene-9'-carboxylate
IUPAC: methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-4-hydroxy-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0^{1,17}.0^{2,7}.0^{11,15}]octadecan]-6'-ene-9'-carboxylate
SMILES: [H][C@@]12C[C@@]3(C)[C@@]([H])(CC[C@@]33CC(O)C(=O)O3)[C@]3([H])[C@@H](CC4=CC(=O)CC[C@]4(C)[C@@]13O2)C(=O)OC |t:22|
SMILES: [H][C@@]12C[C@@]3(C)[C@@]([H])(CC[C@@]33CC(O)C(=O)O3)[C@]3([H])[C@@H](CC4=CC(=O)CC[C@]4(C)[C@@]13O2)C(=O)OC |t:22|
InChI key: TVCONGKEWSYBKD-NBACNWMZSA-N
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