Epimetendiol
HIT212715966
sdf文件结构编辑类似物检索
HIT ID: HIT212715966
Cas No: 132830-78-5
分子式: C20H32O2
分子量: 304.474
常用名: Epimetendiol
氢键受体数 (HBA): 2
氢键供体数 (HBD): 2
LogP: 3.2783194
IUPAC: (1R,3aS,3bR,5aR,7S,9aR,9bS,11aS)-1,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
IUPAC: (1R,3aS,3bR,5aR,7S,9aR,9bS,11aS)-1,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
SMILES: [H][C@@]12CC[C@@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)C=C[C@]12C |c:24|
SMILES: [H][C@@]12CC[C@@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)C=C[C@]12C |c:24|
InChI key: UMCBDWHORFFLCD-ULWYFIRJSA-N
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