Name: dipotassium (2S,3S,4S,5R,6R)-6-{[(1S,3aS,3bR,9bS,11aS)-11a-methyl-7-(sulfonatooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate
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HIT ID:HIT218839770
Cas No:10392-35-5
常用名:dipotassium (2S,3S,4S,5R,6R)-6-{[(1S,3aS,3bR,9bS,11aS)-11a-methyl-7-(sulfonatooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate
常用名:dipotassium (2S,3S,4S,5R,6R)-6-{[(1S,3aS,3bR,9bS,11aS)-11a-methyl-7-(sulfonatooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate
IUPAC:dipotassium (2S,3S,4S,5R,6R)-6-{[(1S,3aS,3bR,9bS,11aS)-11a-methyl-7-(sulfonatooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate
IUPAC:dipotassium (2S,3S,4S,5R,6R)-6-{[(1S,3aS,3bR,9bS,11aS)-11a-methyl-7-(sulfonatooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate
InChI key:NUSNDWFRAHTWCY-LXMSUNLNSA-L

分子式:C24H30K2O11S
分子量:604.75
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[K+].[K+].[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C([O-])=O)[C@@]1(C)CC[C@]1([H])c3ccc(OS([O-])(=O)=O)cc3CC[C@@]21[H]
SMILES:[K+].[K+].[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C([O-])=O)[C@@]1(C)CC[C@]1([H])c3ccc(OS([O-])(=O)=O)cc3CC[C@@]21[H]

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