Dexamethason 21-tert-butylacetate
HIT212715740
sdf文件结构编辑类似物检索
HIT ID: HIT212715740
Cas No: 24668-75-5
分子式: C28H39FO6
分子量: 490.612
常用名: Dexamethason 21-tert-butylacetate
常用名: Dexamethason 21-tert-butylacetate
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 3.8548658
IUPAC: 2-[(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl 3,3-dimethylbutanoate
IUPAC: 2-[(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl 3,3-dimethylbutanoate
SMILES: [H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)CC(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:35,t:31|
SMILES: [H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)CC(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:35,t:31|
InChI key: PQVDYPCHUGFHAR-PKWREOPISA-N
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