Name: Lucidenic acid E
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212665657
Cas No:98665-17-9
常用名:Lucidenic acid E
别名:赤芝酸E2, 赤芝酸 E
IUPAC:(4R)-4-[(1R,3aR,5aR,7S,9aS,11S,11aR)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC:(4R)-4-[(1R,3aR,5aR,7S,9aS,11S,11aR)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]pentanoic acid
InChI key:ASPCIAWQVXVATP-VWXYMJEFSA-N

分子式:C29H40O8
分子量:516.631
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:3.3399706
SMILES:C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O |c:13|
SMILES:C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O |c:13|

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