| CAS | 160661-60-9 |
| Synonyms | Heptakis(6-thio-6-deoxy)-β-cyclodextrin |
| IUPAC Name | 5,10,15,20,25,30,35-heptakis(sulfanylmethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol |
| Molecular Weight | 1247.44 |
| Molecular Formula | C42H70O28S7 |
| Canonical SMILES | C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CS)CS)CS)CS)CS)CS)O)O)S |
| InChI | InChI=1S/C42H70O28S7/c43-15-22(50)36-57-8(1-71)29(15)64-37-23(51)16(44)31(10(3-73)58-37)66-39-25(53)18(46)33(12(5-75)60-39)68-41-27(55)20(48)35(14(7-77)62-41)70-42-28(56)21(49)34(13(6-76)63-42)69-40-26(54)19(47)32(11(4-74)61-40)67-38-24(52)17(45)30(65-36)9(2-72)59-38/h8-56,71-77H,1-7H2 |
| InChI Key | MAQZFSOYQPJIOQ-UHFFFAOYSA-N |
| Purity | 98% |
| Density | 1.531±0.06 g/ml |
| Appearance | White to off-white powder |
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