Name: Marinobufogenin
Rating: 5 (10 reviews)

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HIT ID:HIT212731468
Cas No:470-42-8
常用名:Marinobufogenin
别名:南美蟾毒精, Marinobufagenin
IUPAC:5-[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-14,16-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,7R,10S,11R,14S,16S)-14,16-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
InChI key:JMNQTHQLNRILMH-OBBGIPBRSA-N

分子式:C24H32O5
分子量:400.515
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:2.1314676
SMILES:C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@]11O[C@@H]1C[C@@H]2c1ccc(=O)oc1
SMILES:C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@]11O[C@@H]1C[C@@H]2c1ccc(=O)oc1

Marinobufagenin, a cardiotonic steroid, its increased concentrations are important in the cardiac disease and oxidant stress state seen with renal failure.

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