Name: Neoabietic acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323864
Cas No:471-77-2
常用名:Neoabietic acid
别名:新松脂酸
IUPAC:(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid
IUPAC:(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid
InChI key:KGMSWPSAVZAMKR-ONCXSQPRSA-N

分子式:C20H30O2
分子量:302.458
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[#6]-[#6]\[#6](-[#6]=[#6]1-[#6]-[#6][C@@]1([H])[C@@]([#6])([#6]-[#6]-[#6][C@]21[#6])[#6](-[#8])=O)=[#6](/[#6])-[#6] |c:5|
SMILES:[H][C@]12[#6]-[#6]\[#6](-[#6]=[#6]1-[#6]-[#6][C@@]1([H])[C@@]([#6])([#6]-[#6]-[#6][C@]21[#6])[#6](-[#8])=O)=[#6](/[#6])-[#6] |c:5|

Neoabietic acid is an abietic-type acid isolated from the oleoresin and rosin of Pinus palustris . Neoabietic acid is highly susceptible to mineral acid. Neoabietic acid has antibacterial activity in vitro.

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