Name: Compound 0449-0100
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT211253985
Cas No:
常用名:Compound 0449-0100
IUPAC:(3bR,9bS)-3a,7-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9a-carbaldehyde
IUPAC:(3bR,9bS)-3a,7-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9a-carbaldehyde
InChI key:JPIDFRQBAGAXJM-OGUVNLEOSA-N

分子式:C23H30O5
分子量:386.488
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:1.3844
SMILES:[H][C@@]12CCC3=CC(O)CCC3(C=O)[C@@]1([H])CCC1(C)C(CCC21O)C1=CC(=O)OC1 |t:4,28|
SMILES:[H][C@@]12CCC3=CC(O)CCC3(C=O)[C@@]1([H])CCC1(C)C(CCC21O)C1=CC(=O)OC1 |t:4,28|

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