Name: Compound 0407-0016
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT211253938
Cas No:-
常用名:Compound 0407-0016
IUPAC:(3bR,7R,9bS)-3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde
IUPAC:(3bR,7R,9bS)-3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde
InChI key:ODJLBQGVINUMMR-WXSQHWGUSA-N

分子式:C23H32O6
分子量:404.503
氢键供体数 (HBD):3
氢键受体数 (HBA):8
LogP:0.694
SMILES:[H][C@@]12CCC3(O)C[C@H](O)CCC3(C=O)[C@@]1([H])CCC1(C)C(CCC21O)C1=CC(=O)OC1 |t:29|
SMILES:[H][C@@]12CCC3(O)C[C@H](O)CCC3(C=O)[C@@]1([H])CCC1(C)C(CCC21O)C1=CC(=O)OC1 |t:29|

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