Name: Eburicoic acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212665427
Cas No:560-66-7
常用名:Eburicoic acid
别名:齿孔菌酸, ZINC4655149, MFCD00238594, Eburicoicacid
别名:齿孔菌酸, ZINC4655149, MFCD00238594, Eburicoicacid
IUPAC:(2R)-2-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid
IUPAC:(2R)-2-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid
InChI key:UGMQOYZVOPASJF-OXUZYLMNSA-N

分子式:C31H50O3
分子量:470.738
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:6.987351
SMILES:[H][C@@]12CCC3=C(CC[C@]4(C)[C@H](CC[C@@]34C)[C@@H](CCC(=C)C(C)C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C |t:4|
SMILES:[H][C@@]12CCC3=C(CC[C@]4(C)[C@H](CC[C@@]34C)[C@@H](CCC(=C)C(C)C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C |t:4|

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