Name: sodium (1S,3aS,3bS,7S,9aR,9bS,11aS)-1-[(2,2,2-2H3)acetyl]-9a,11a-dimethyl(1-2H)-2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl sulfate
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HIT ID:HIT221058537
Cas No:
常用名:sodium (1S,3aS,3bS,7S,9aR,9bS,11aS)-1-[(2,2,2-2H3)acetyl]-9a,11a-dimethyl(1-2H)-2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl sulfate
常用名:sodium (1S,3aS,3bS,7S,9aR,9bS,11aS)-1-[(2,2,2-2H3)acetyl]-9a,11a-dimethyl(1-2H)-2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl sulfate
IUPAC:sodium (1S,3aS,3bS,7S,9aR,9bS,11aS)-1-[(2,2,2-2H3)acetyl]-9a,11a-dimethyl(1-2H)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl sulfate
IUPAC:sodium (1S,3aS,3bS,7S,9aR,9bS,11aS)-1-[(2,2,2-2H3)acetyl]-9a,11a-dimethyl(1-2H)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl sulfate
InChI key:InChIKey=QQVJEIZJHDPTSH-XGFGCCPTSA-M

分子式:C21H31NaO5S
分子量:422.55
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[H][C@@]12CC[C@]([2H])(C(=O)C([2H])([2H])[2H])[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS([O-])(=O)=O
SMILES:[Na+].[H][C@@]12CC[C@]([2H])(C(=O)C([2H])([2H])[2H])[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS([O-])(=O)=O

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