Tipredane
HIT219158767
sdf文件结构编辑类似物检索
HIT ID: HIT219158767
Cas No: 85197-77-9
分子式: C22H31FO2S2
分子量: 410.61
常用名: Tipredane
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3aS,3bS,9aS,9bR,10S,11aS)-1-(ethylsulfanyl)-9b-fluoro-10-hydroxy-9a,11a-dimethyl-1-(methylsulfanyl)-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC: (1R,3aS,3bS,9aS,9bR,10S,11aS)-1-(ethylsulfanyl)-9b-fluoro-10-hydroxy-9a,11a-dimethyl-1-(methylsulfanyl)-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES: [H][C@@]12CC[C@@](SC)(SCC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
SMILES: [H][C@@]12CC[C@@](SC)(SCC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
InChI key: DXEXNWDGDYUITL-FXSSSKFRSA-N
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