Bufarenogin
HIT212665320
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HIT ID: HIT212665320
Cas No: 17008-65-0
分子式: C24H32O6
分子量: 416.514
常用名: Bufarenogin
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 1.6383525
IUPAC: 5-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11S,11aS)-3a,7,11-trihydroxy-9a,11a-dimethyl-10-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2H-pyran-2-one
IUPAC: 5-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11S,11aS)-3a,7,11-trihydroxy-9a,11a-dimethyl-10-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2H-pyran-2-one
SMILES: [H][C@]12CC[C@]3([H])[C@]([H])(C(=O)[C@@H](O)[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])(C(=O)[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@H](O)C2
InChI key: SOGONHOGEFLVPE-PUVOGLICSA-N
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