3-epi-Bufalin
HIT217584346
sdf文件结构编辑类似物检索
HIT ID: HIT217584346
Cas No: 465-20-3
分子式: C24H34O4
分子量: 386.532
常用名: 3-epi-Bufalin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-3a,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2H-pyran-2-one
IUPAC: 5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-3a,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2H-pyran-2-one
SMILES: [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@@H](O)C2
SMILES: [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@@H](O)C2
InChI key: QEEBRPGZBVVINN-SIBWXOBNSA-N
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