basic_info |
|
| Product_Name: | 2,3,6,2',3',4',6'-HEPTA-O-ACETYL-BETA-D-MALTOSYL ISOTHIOCYANATE |
| CAS: | 81319-58-6 |
| EnglishSynonyms: | 2,3,6,2',3',4',6'-HEPTA-O-ACETYL-BETA-D-MALTOSYL ISOTHIOCYANATE ; HEPTA-O-ACETYL-BETA-D-MALTOSYL-ISOTHIOCYANATE |
| pro_mdlNumber: | MFCD09952967 |
| pro_acceptors: | 18 |
| pro_donors: | 0 |
| pro_smile: | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N=C=S)OC(=O)C)OC(=O)C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChi: | InChI=1S/C27H35NO17S/c1-11(29)36-8-18-21(22(39-14(4)32)24(41-16(6)34)26(43-18)28-10-46)45-27-25(42-17(7)35)23(40-15(5)33)20(38-13(3)31)19(44-27)9-37-12(2)30/h18-27H,8-9H2,1-7H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1 |
| InChiKey: | InChIKey=ZEDXOYGZGOUVME-DVCSACCXSA-N |
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