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CONTACT USCatalog Number | CD97227322 |
CAS | 97227-32-2 |
Structure | https://resource.alfachemic.com/structure/97227-32-2.gif |
Synonyms | 2I-O-(p-toluenesulfonyl)-γ-cyclodextrin |
IUPAC Name | [(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47S,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,42,43,44,45,46,47,49,50,51,52,53,54,55,56-pentadecahydroxy-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-48-yl] 4-methylbenzenesulfonate |
Molecular Weight | 1451.31g/mol |
Molecular Formula | C55H86O42S |
InChI | InChI=1S/C55H86O42S/c1-14-2-4-15(5-3-14)98(79,80)97-47-38(78)46-23(13-63)88-55(47)96-45-22(12-62)87-53(37(77)30(45)70)94-43-20(10-60)85-51(35(75)28(43)68)92-41-18(8-58)83-49(33(73)26(41)66)90-39-16(6-56)81-48(31(71)24(39)64)89-40-17(7-57)82-50(32(72)25(40)65)91-42-19(9-59)84-52(34(74)27(42)67)93-44-21(11-61)86-54(95-46)36(76)29(44)69/h2-5,16-78H,6-13H2,1H3/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m1/s1 |
InChI Key | USRILNNILPQZNC-SCLKBCEUSA-N |
Purity | 95+%(HPLC) |
Appearance | White to Almost white powder to crystal |
Storage | Room temperature (Recommended in a cool and dark place, <15°C) |
Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H]([C@H]3[C@H](O[C@@H]2O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O)O)O[C@@H]1[C@H](O[C@H](O3)[C@@H]([C@H]1O)O)CO)CO)CO)CO)CO)CO)CO)CO)O |
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