Name: disodium 2-[(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11S,11aR)-4,11-dihydroxy-9a,11a-dimethyl-7-(sulfonatooxy)-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethanesulfonate
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HIT ID:HIT218886895
Cas No:71781-33-4
常用名:disodium 2-[(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11S,11aR)-4,11-dihydroxy-9a,11a-dimethyl-7-(sulfonatooxy)-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethanesulfonate
常用名:disodium 2-[(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11S,11aR)-4,11-dihydroxy-9a,11a-dimethyl-7-(sulfonatooxy)-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethanesulfonate
IUPAC:disodium 2-[(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11S,11aR)-4,11-dihydroxy-9a,11a-dimethyl-7-(sulfonatooxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonate
IUPAC:disodium 2-[(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11S,11aR)-4,11-dihydroxy-9a,11a-dimethyl-7-(sulfonatooxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonate
InChI key:JDZGOMAYFRJNTP-NEMAEHQESA-L

分子式:C26H43NNa2O10S2
分子量:639.73
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)OS([O-])(=O)=O)[C@H](C)CCC(=O)NCCS([O-])(=O)=O
SMILES:[Na+].[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)OS([O-])(=O)=O)[C@H](C)CCC(=O)NCCS([O-])(=O)=O

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