basic_info |
|
| Product_Name: | SECOLOGANIN DIMETHYL ACETAL |
| CAS: | 77988-07-9 |
| EnglishSynonyms: | SECOLOGANIN DIMETHYL ACETAL |
| pro_mdlNumber: | MFCD22417278 |
| pro_acceptors: | 11 |
| pro_donors: | 4 |
| pro_smile: | COC(C[C@H]1[C@H]([C@@H](OC=C1C(=O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C=C)OC |
| InChi: | InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1 |
| InChiKey: | InChIKey=HUVIXLWRQSMCLN-PXRCHJMLSA-N |
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