17-(iodomethyl)-3-(tetrahydro-2H-pyran-2-yloxy)androstane
HIT106830896
sdf文件结构编辑类似物检索
HIT ID: HIT106830896
Cas No:
分子式: C25H41IO2
分子量: 500.505
常用名: 17-(iodomethyl)-3-(tetrahydro-2H-pyran-2-yloxy)androstane
常用名: 17-(iodomethyl)-3-(tetrahydro-2H-pyran-2-yloxy)androstane
氢键受体数 (HBA): 2
氢键供体数 (HBD): 0
LogP: 8.02
IUPAC: 2-{[(1S,3aS,5aS,9aS,11aS)-1-(iodomethyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}oxane
IUPAC: 2-{[(1S,3aS,5aS,9aS,11aS)-1-(iodomethyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}oxane
SMILES: C[C@]12CCC3C(CC[C@H]4CC(CC[C@]34C)OC3CCCCO3)[C@@H]1CC[C@@H]2CI
SMILES: C[C@]12CCC3C(CC[C@H]4CC(CC[C@]34C)OC3CCCCO3)[C@@H]1CC[C@@H]2CI
InChI key: VJCWEUYDXCVIJK-FXODZPTJSA-N
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