基本信息 |
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产品名称: | 8-O-乙酰山栀苷甲酯 |
CAS: | 57420-46-9 |
中文同义词: | 8-O-乙酰山栀苷甲酯 |
英文同义词: | BARLERIN ; 8-O-ACETYLSHANZHISIDE METHYL ESTER |
MDL号: | MFCD15071141 |
氢键受体数量: | 12 |
氢键供体数量: | 5 |
Smile: | CC(=O)O[C@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C |
InChi: | InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10-,11+,12-,13-,14+,15-,17+,18+,19+/m1/s1 |
InChiKey: | InChIKey=ARFRZOLTIRQFCI-NGQYDJQZSA-N |
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