3-Epigitoxigenin
HIT218847240
sdf文件结构编辑类似物检索
HIT ID: HIT218847240
Cas No: 465-10-1
分子式: C23H34O5
分子量: 390.52
常用名: 3-Epigitoxigenin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-[(1R,2S,3aS,3bR,5aR,7R,9aS,9bS,11aR)-2,3a,7-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
IUPAC: 4-[(1R,2S,3aS,3bR,5aR,7R,9aS,9bS,11aR)-2,3a,7-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
SMILES: [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@@H](O)C[C@]34O)C3=CC(=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]([C@@H](O)C[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](O)C2
InChI key: PVAMXWLZJKTXFW-JSMHYTDZSA-N
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