Name: Ganoderic acid C1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212665479
Cas No:95311-97-0
常用名:Ganoderic acid C1
别名:灵芝酸C1, 灵芝酸 C1
IUPAC:(2R,6R)-6-[(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]-2-methyl-4-oxoheptanoic acid
IUPAC:(2R,6R)-6-[(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]-2-methyl-4-oxoheptanoic acid
InChI key:YTVGSCZIHGRVAV-NJNFCIENSA-N

分子式:C30H42O7
分子量:514.659
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:3.8669095
SMILES:[H][C@@]12C[C@H](O)C3=C(C(=O)C[C@]4(C)[C@H](CC(=O)[C@@]34C)[C@H](C)CC(=O)C[C@@H](C)C(O)=O)[C@@]1(C)CCC(=O)C2(C)C |t:5|
SMILES:[H][C@@]12C[C@H](O)C3=C(C(=O)C[C@]4(C)[C@H](CC(=O)[C@@]34C)[C@H](C)CC(=O)C[C@@H](C)C(O)=O)[C@@]1(C)CCC(=O)C2(C)C |t:5|

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