Icariin
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Basic information
| Chemical Name | Icariin |
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| Inchi | InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1 |
| InchiKey | TZJALUIVHRYQQB-XLRXWWTNSA-N |
| Remark | |
| Canonical Smiles | CC(C)=CCC1=C(C=C(O)C2C(=O)C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)=C(OC1=2)C1C=CC(=CC=1)OC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| Exact Mass | 676.23673 |
| Smiles | CC(=CCC1C2OC(=C(O[C@@]3(O[C@@]([C@](O)([C@@](O)([C@]3(O)[H])[H])[H])([H])C)[H])C(=O)C=2C(O)=CC=1O[C@@]1(O[C@]([C@@](O)([C@](O)([C@]1(O)[H])[H])[H])([H])CO)[H])C1C=CC(OC)=CC=1)C |
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Security information
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