Name: (1S,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-1-[2-hydroxy(2,2-2H2)acetyl]-9a,11a-dimethyl(1,5,5,6,8,8-2H6)-2H,3H,3aH,3bH,4H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
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HIT ID:HIT218701032
Cas No:1271728-07-4
常用名:(1S,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-1-[2-hydroxy(2,2-2H2)acetyl]-9a,11a-dimethyl(1,5,5,6,8,8-2H6)-2H,3H,3aH,3bH,4H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
常用名:(1S,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-1-[2-hydroxy(2,2-2H2)acetyl]-9a,11a-dimethyl(1,5,5,6,8,8-2H6)-2H,3H,3aH,3bH,4H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
IUPAC:(1S,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-1-[2-hydroxy(2,2-2H2)acetyl]-9a,11a-dimethyl(1,5,5,6,8,8-2H6)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC:(1S,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-1-[2-hydroxy(2,2-2H2)acetyl]-9a,11a-dimethyl(1,5,5,6,8,8-2H6)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI key:OMFXVFTZEKFJBZ-VWODBOJYSA-N

分子式:C21H30O4
分子量:354.516
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@]([2H])(C(=O)C([2H])([2H])O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC([2H])([2H])C2=C([2H])C(=O)C([2H])([2H])C[C@]12C
SMILES:[H][C@@]12CC[C@]([2H])(C(=O)C([2H])([2H])O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC([2H])([2H])C2=C([2H])C(=O)C([2H])([2H])C[C@]12C

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