12β-Hydroxyresibufogenin
HIT218903846
sdf文件结构编辑类似物检索
HIT ID: HIT218903846
Cas No:
分子式: C24H32O5
分子量: 400.515
常用名: 12β-Hydroxyresibufogenin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5-[(1R,2S,4R,6R,7S,8R,10S,11S,14S,16R)-8,14-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.0^{2,4}.0^{2,7}.0^{11,16}]octadecan-6-yl]-2H-pyran-2-one
IUPAC: 5-[(1R,2S,4R,6R,7S,8R,10S,11S,14S,16R)-8,14-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.0^{2,4}.0^{2,7}.0^{11,16}]octadecan-6-yl]-2H-pyran-2-one
SMILES: [H][C@@]12C[C@H](c3ccc(=O)oc3)[C@@]3(C)[C@H](O)C[C@@]4([H])[C@@]([H])(CC[C@]5([H])C[C@@H](O)CC[C@]45C)[C@@]13O2
SMILES: [H][C@@]12C[C@H](c3ccc(=O)oc3)[C@@]3(C)[C@H](O)C[C@@]4([H])[C@@]([H])(CC[C@]5([H])C[C@@H](O)CC[C@]45C)[C@@]13O2
InChI key: DUDKFSOZKFNNCE-FEHGIAQLSA-N
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