Octakis(6-O-tert-butyldimethylsilyl)-γ-cyclodextrin

More details:

• Systematic 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,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,10,15,20,25,30,35,40-Octakis({[dimethyl(2 -methyl-2-propanyl)silyl]oxy}methyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~.2~33,36~]hexapentacontane-41,42,43,44,45 ,46,47,48,49,50,51,52,53,54,55,56-hexadecol (non-preferred name)

• SMILES

  C[Si](C)(OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](O[C@@H]4[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](O[C@@H]5[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](O[C@@H]6[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](O[C@@H]7[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](O[C@@H]8[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](O[C@@H]9[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)C(C)(C)C

• Std. InChi

  InChI=1S/C96H192O40Si8/c1-89(2,3)137(25,26)113-41-49-73-57(97)65(105)81(121-49)130-74-50(42-114-138(27,28)90(4,5)6)123-83(67(107)59(74)99)132-76-52(44-116-140(31,32)92(10,11)12)125-85(69(109)61(76)101)134-78-54(46-118-142(35,36)94(16,17)18)127-87(71(111)63(78)103)136-80-56(48-120-144(39,40)96(22,23)24)128-88(72(112)64(80)104)135-79-55(47-119-143(37,38)95(19,20)21)126-86(70(110)62(79)102)133-77-53(45-117-141(33,34)93(13,14)15)124-84(68(108)60(77)100)131-75-51(43-115-139(29,30)91(7,8)9)122-82(129-73)66(106)58(75)98/h49-88,97-112H,41-48H2,1-40H3/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-/m1/s1

• Std. InChIKey

  MKSDSPVSZRMRNY-YKBAZCJNSA-N

• Cite this record

  CSID:9161332, http://www.chemspider.com/Chemical-Structure.9161332.html (accessed 19:13, Apr 23, 2024)