Name: Compound 0449-0116
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT211253989
Cas No:-
常用名:Compound 0449-0116
IUPAC:4-[(3bR,9bS)-3a,5a,7-trihydroxy-9a-[(E)-(hydroxyimino)methyl]-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
IUPAC:4-[(3bR,9bS)-3a,5a,7-trihydroxy-9a-[(E)-(hydroxyimino)methyl]-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
InChI key:PGQOWJBTWKJAQR-SUYUUDDGSA-N

分子式:C23H33NO6
分子量:419.518
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:1.103
SMILES:[H][C@@]12CCC3(O)CC(O)CCC3(\C=N\O)[C@@]1([H])CCC1(C)C(CCC21O)C1=CC(=O)OC1 |t:30|
SMILES:[H][C@@]12CCC3(O)CC(O)CCC3(\C=N\O)[C@@]1([H])CCC1(C)C(CCC21O)C1=CC(=O)OC1 |t:30|

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