3α,21-Dihydroxy-5α-pregnan-20-one
HIT212711831
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HIT ID: HIT212711831
Cas No: 567-02-2
分子式: C21H34O3
分子量: 334.5
常用名: 3α,21-Dihydroxy-5α-pregnan-20-one
常用名: 3α,21-Dihydroxy-5α-pregnan-20-one
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 3.16969
IUPAC: 1-[(1S,3aS,3bR,5aS,7R,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-hydroxyethan-1-one
IUPAC: 1-[(1S,3aS,3bR,5aS,7R,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-hydroxyethan-1-one
SMILES: [H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C
SMILES: [H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C
InChI key: CYKYBWRSLLXBOW-GDYGHMJCSA-N
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