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

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HIT ID:HIT212665012
Cas No:137551-39-4
常用名:Poricoic acid B
别名:茯苓新酸 B, 茯苓酸B
IUPAC:(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-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)-6-(2-carboxyethyl)-2-hydroxy-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:NXAZWYWJZDFISF-KXGBKNTBSA-N

分子式:C30H44O5
分子量:484.677
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:5.1428823
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@H](-[#6@H]1-[#6@H](-[#8])-[#6][C@@]2([#6])[#6]-3=[#6]-[#6]-[#6@@H](-[#6](-[#6])=[#6])[C@]([#6])([#6]-[#6]-[#6](-[#8])=O)[#6]-3=[#6]-[#6][C@]12[#6])-[#6](-[#8])=O |c:28,t:13|
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@H](-[#6@H]1-[#6@H](-[#8])-[#6][C@@]2([#6])[#6]-3=[#6]-[#6]-[#6@@H](-[#6](-[#6])=[#6])[C@]([#6])([#6]-[#6]-[#6](-[#8])=O)[#6]-3=[#6]-[#6][C@]12[#6])-[#6](-[#8])=O |c:28,t:13|

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