Name: 3-O-Acetyl-20-Hydroxyecdysone
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314716
Cas No:22961-68-8
常用名:3-O-Acetyl-20-Hydroxyecdysone
别名:3-乙酰基-β-蜕皮甾酮
IUPAC:(1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,8-dihydroxy-9a,11a-dimethyl-5-oxo-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
IUPAC:(1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,8-dihydroxy-9a,11a-dimethyl-5-oxo-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
InChI key:UWFCFVQTAHITKV-OQQOFWQASA-N

分子式:C29H46O8
分子量:522.679
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](OC(C)=O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@](C)(O)[C@H](O)CCC(C)(C)O |t:6|
SMILES:[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](OC(C)=O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@](C)(O)[C@H](O)CCC(C)(C)O |t:6|

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