Name: Poricoic acid BM
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322814
Cas No:1815623-74-5
常用名:Poricoic acid BM
IUPAC:(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-2-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,6H,7H,8H,9bH-cyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid
IUPAC:(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-2-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,6H,7H,8H,9bH-cyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid
InChI key:KBQBNLHZTLWXML-SMFZDKLCSA-N

分子式:C31H46O5
分子量:498.704
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1([#6@@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)[#6@H](-[#8])-[#6][C@@]2([#6])[#6]-3=[#6]-[#6]-[#6@@H](-[#6](-[#6])=[#6])[C@]([#6])([#6]-[#6]-[#6](=O)-[#8]-[#6])[#6]-3=[#6]-[#6][C@]12[#6] |c:33,t:17|
SMILES:[H][C@]1([#6@@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)[#6@H](-[#8])-[#6][C@@]2([#6])[#6]-3=[#6]-[#6]-[#6@@H](-[#6](-[#6])=[#6])[C@]([#6])([#6]-[#6]-[#6](=O)-[#8]-[#6])[#6]-3=[#6]-[#6][C@]12[#6] |c:33,t:17|

Poricoic acid BM is a lanostane triterpenoid present in the peels of Wolfiporia cocos mushrooms.

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