Timobesone
HIT212671509
sdf文件结构编辑类似物检索
HIT ID: HIT212671509
Cas No: 87116-72-1
分子式: C22H29FO4S
分子量: 408.53
常用名: Timobesone
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 3.0697157
IUPAC: (1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1-[(methylsulfanyl)carbonyl]-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC: (1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1-[(methylsulfanyl)carbonyl]-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES: [H][C@@]12C[C@H](C)[C@](O)(C(=O)SC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
SMILES: [H][C@@]12C[C@H](C)[C@](O)(C(=O)SC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
InChI key: LNGNTCFORRWFSF-DVTGEIKXSA-N
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