Name: Arenobufagin 3-hemisuberate
Rating: 5 (10 reviews)

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HIT ID:HIT212665277
Cas No:30219-16-0
常用名:Arenobufagin 3-hemisuberate
别名:沙蟾毒精3-辛二酸单酯, 沙蟾毒精 3-辛二酸单酯
IUPAC:8-{[(1R,3aS,3bR,5aR,7S,9aS,9bS,10S,11aR)-3a,10-dihydroxy-9a,11a-dimethyl-11-oxo-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-8-oxooctanoic acid
IUPAC:8-{[(1R,3aS,3bR,5aR,7S,9aS,9bS,10S,11aR)-3a,10-dihydroxy-9a,11a-dimethyl-11-oxo-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-8-oxooctanoic acid
InChI key:LYCCSNYEMCXNRM-QCTKBPTFSA-N

分子式:C32H44O9
分子量:572.695
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:3.8606288
SMILES:[H][C@]12CC[C@]3([H])[C@]([H])([C@H](O)C(=O)[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@@H](C2)OC(=O)CCCCCCC(O)=O
SMILES:[H][C@]12CC[C@]3([H])[C@]([H])([C@H](O)C(=O)[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@@H](C2)OC(=O)CCCCCCC(O)=O

Arenobufagin 3-hemisuberate is a natural product characterized by its complex molecular structure and significant biological activity. Originating from natural sources, this compound exhibits potential pharmacological properties, making it a subject of interest in medical and biochemical research.

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