Name: Masticadienonic acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT106166296
Cas No:514-49-8
常用名:Masticadienonic acid
IUPAC:(2Z)-6-[(1S,3aS,9aR,11aS)-3a,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
IUPAC:(2Z)-6-[(1S,3aS,9aR,11aS)-3a,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
InChI key:VOYZLKWKVLYJHD-SQOMGICQSA-N

分子式:C30H46O3
分子量:454.695
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:8.23
SMILES:CC(CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3CC[C@@]12C |t:15|
SMILES:CC(CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3CC[C@@]12C |t:15|

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