Name: Paeoniflorgenin
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214321946
Cas No:697300-41-7
常用名:Paeoniflorgenin
别名:芍药苷元
IUPAC:[(1R,2S,3R,5R,6R,8S)-3,6-dihydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0^{2,5}.0^{3,8}]decan-2-yl]methyl benzoate
IUPAC:[(1R,2S,3R,5R,6R,8S)-3,6-dihydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0^{2,5}.0^{3,8}]decan-2-yl]methyl benzoate
InChI key:GWQHMWOOQLVRLG-JGAAPJFWSA-N

分子式:C17H18O6
分子量:318.325
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@]3(O)[C@]1(COC(=O)c1ccccc1)[C@@]1([H])O[C@]2(O)C[C@]3(C)O1 |TLB:6:5:2:22.19.21,4:3:16.18:1,23:22:16.18:1,18:19:3:24.16,2:3:24.16:19.1.21,2:1:3:24.16,2:3:16.18:1,THB:4:3:24.16:19.1.21,24:22:16.18:1,24:16:1:3.22.21,16:5:2:22.19.21,18:16:3:19.1.21,20:19:3:24.16,2:1:16.18:3.22.21|
SMILES:[H][C@@]12C[C@@]3(O)[C@]1(COC(=O)c1ccccc1)[C@@]1([H])O[C@]2(O)C[C@]3(C)O1 |TLB:6:5:2:22.19.21,4:3:16.18:1,23:22:16.18:1,18:19:3:24.16,2:3:24.16:19.1.21,2:1:3:24.16,2:3:16.18:1,THB:4:3:24.16:19.1.21,24:22:16.18:1,24:16:1:3.22.21,16:5:2:22.19.21,18:16:3:19.1.21,20:19:3:24.16,2:1:16.18:3.22.21|

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