Name: Antiproliferative agent-28
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315585
Cas No:263844-80-0
常用名:Antiproliferative agent-28
IUPAC:methyl (1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-(acetyloxy)-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
IUPAC:methyl (1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-(acetyloxy)-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
InChI key:XQEGNJRCYISSOX-AAZOUCTQSA-N

分子式:C33H52O5
分子量:528.774
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(CO)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC)C(C)=C
SMILES:[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(CO)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC)C(C)=C

3-Acetoxy-27-hydroxy-20(29)-lupen is an acetyl ester form of 3α, 27-Dihydroxylupen-20(29)-en-28-oic acid methyl ester, which is a topoisomerase II inhibitor.

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