Name: Compound TN12638
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219156687
Cas No:
常用名:Compound TN12638
别名:(3aS,5aR,7R,8S,9aR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
别名:(3aS,5aR,7R,8S,9aR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
IUPAC:(3aS,5aR,7R,8S,9aR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
IUPAC:(3aS,5aR,7R,8S,9aR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
InChI key:JQNVCUBPURTQPQ-AHIVOIFTSA-N

分子式:C27H44O7
分子量:480.642
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:0.722
SMILES:[H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)C1CC[C@]3(C)C(CC[C@@]3(O)C1=CC2=O)[C@@](C)(O)[C@H](O)CCC(C)CO
SMILES:[H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)C1CC[C@]3(C)C(CC[C@@]3(O)C1=CC2=O)[C@@](C)(O)[C@H](O)CCC(C)CO

(3aS,5aR,7R,8S,9aR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one是一种高纯度生化试剂，可用于生物化学实验和药物合成研究。

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