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

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HIT ID:HIT212659711
Cas No:500736-17-4;82508-36-9
常用名:Demethoxydeacetoxypseudolaric acid B
常用名:Demethoxydeacetoxypseudolaric acid B
IUPAC:(1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0^{1,7}]tridec-3-ene-4-carboxylic acid
IUPAC:(1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0^{1,7}]tridec-3-ene-4-carboxylic acid
InChI key:QPFFEVMIQIJTGZ-XYWPTNBISA-N

分子式:C20H24O7
分子量:376.405
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:2.127254
SMILES:[H][C@@]12CC[C@]3(CC=C(CC[C@]13O)C(O)=O)C(=O)O[C@]2(C)\C=C\C=C(/C)C(O)=O |c:6|
SMILES:[H][C@@]12CC[C@]3(CC=C(CC[C@]13O)C(O)=O)C(=O)O[C@]2(C)\C=C\C=C(/C)C(O)=O |c:6|

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