Name: Withanolide C
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316263
Cas No:108030-78-0
常用名:Withanolide C
IUPAC:(6R)-6-[(1S)-1-[(1S,3aR,3bR,5R,5aR,9aS,9bS,11aS)-5a-chloro-1,3a,5-trihydroxy-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one
IUPAC:(6R)-6-[(1S)-1-[(1S,3aR,3bR,5R,5aR,9aS,9bS,11aS)-5a-chloro-1,3a,5-trihydroxy-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one
InChI key:JEJZNYLQNCIUEG-DEMKYSCBSA-N

分子式:C28H39ClO7
分子量:523.06
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])C[C@@H](O)[C@@]4(Cl)CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12C |c:28,t:4|
SMILES:[H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])C[C@@H](O)[C@@]4(Cl)CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12C |c:28,t:4|

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