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Substance Name: epsilon-Cyclodextrin
RN: 156510-98-4
InChIKey: HUKYUKIIXNZRBF-HZKYAONISA-N

Molecular Formula

  • C60-H100-O50

Molecular Weight

  • 1621.4
 
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Names and Synonyms

  • epsilon-Cyclodextrin

Registry Numbers

CAS Registry Number

  • 156510-98-4

System Generated Number

  • 0156510984

Structure Descriptors

InChI

1S/C60H100O50/c61-1-11-41-21(71)31(81)51(91-11)102-42-12(2-62)93-53(33(83)23(42)73)104-44-14(4-64)95-55(35(85)25(44)75)106-46-16(6-66)97-57(37(87)27(46)77)108-48-18(8-68)99-59(39(89)29(48)79)110-50-20(10-70)100-60(40(90)30(50)80)109-49-19(9-69)98-58(38(88)28(49)78)107-47-17(7-67)96-56(36(86)26(47)76)105-45-15(5-65)94-54(34(84)24(45)74)103-43-13(3-63)92-52(101-41)32(82)22(43)72/h11-90H,1-10H2/t11-,12-,13-,14-,15-,16-,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-,56-,57-,58-,59-,60-/m1/s1

InChIKey

HUKYUKIIXNZRBF-HZKYAONISA-N

Smiles

O1[C@H](CO)[C@@H]2[C@@H]([C@H](O)[C@H]1O[C@H]1[C@H](O)[C@H]([C@H](O[C@@H]1CO)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O2)CO)O[C@@H]4CO)O[C@@H]3CO)CO)CO)CO)O)O)[C@@H]([C@H]1O)O)O)O