Name: Firmanoic acid
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214313437
Cas No:107584-83-8
常用名:Firmanoic acid
IUPAC:(2E,6S)-6-[(1S,3aS,5aS,9aS,9bR,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-methyl-4-oxohept-2-enoic acid
IUPAC:(2E,6S)-6-[(1S,3aS,5aS,9aS,9bR,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-methyl-4-oxohept-2-enoic acid
InChI key:VHBAGJSLBGJYBT-YFZQHWJPSA-N

分子式:C30H44O4
分子量:468.678
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H](CC(=O)\C=C(/C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C |t:16|
SMILES:C[C@@H](CC(=O)\C=C(/C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C |t:16|

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