Name: Alisol G
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212721305
Cas No:155521-46-3
常用名:Alisol G
别名:泽泻醇 G, Alisol-G, 25-脱水泽泻醇A, 25-Anhydroalisol A
别名:泽泻醇 G, Alisol-G, 25-脱水泽泻醇A, 25-Anhydroalisol A
IUPAC:(3aR,3bS,5aR,9aS,9bS,10S)-1-[(2R,4S,5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
IUPAC:(3aR,3bS,5aR,9aS,9bS,10S)-1-[(2R,4S,5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
InChI key:WLNDANGOFVYODW-XCXJHVMUSA-N

分子式:C30H48O4
分子量:472.71
氢键供体数 (HBD):3
氢键受体数 (HBA):4
LogP:4.7136545
SMILES:C[C@H](C[C@H](O)[C@@H](O)C(C)=C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 |c:10|
SMILES:C[C@H](C[C@H](O)[C@@H](O)C(C)=C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 |c:10|

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