Name: Alisol A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212658878
Cas No:19885-10-0
常用名:Alisol A
别名:泽泻醇 A, Alisol-A
IUPAC:(3aR,3bS,9aS,9bS,10S)-10-hydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
IUPAC:(3aR,3bS,9aS,9bS,10S)-10-hydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
InChI key:HNOSJVWYGXOFRP-VDPQESLVSA-N

分子式:C30H50O5
分子量:490.725
氢键供体数 (HBD):4
氢键受体数 (HBA):5
LogP:3.746093
SMILES:[H][C@@]12[C@@H](O)CC3=C(CC[C@]3(C)[C@@]1(C)CCC1C(C)(C)C(=O)CC[C@]21C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O |t:5|
SMILES:[H][C@@]12[C@@H](O)CC3=C(CC[C@]3(C)[C@@]1(C)CCC1C(C)(C)C(=O)CC[C@]21C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O |t:5|

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