Name: 20(21)-Dehydrolucidenic acid A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212665139
Cas No:852936-69-7
常用名:20(21)-Dehydrolucidenic acid A
别名:20(21)-去氢赤芝酸A, 20(21)-去氢赤芝酸 A
IUPAC:4-[(1R,3aR,4S,5aR,9aS,11aR)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]pent-4-enoic acid
IUPAC:4-[(1R,3aR,4S,5aR,9aS,11aR)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]pent-4-enoic acid
InChI key:APMICFQMLNFXRZ-LIFSRMHQSA-N

分子式:C27H36O6
分子量:456.579
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:3.266358
SMILES:C[C@]12CC(=O)C3=C([C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]1(C)C(=O)C[C@@H]2C(=C)CCC(O)=O |t:5|
SMILES:C[C@]12CC(=O)C3=C([C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]1(C)C(=O)C[C@@H]2C(=C)CCC(O)=O |t:5|

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