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Substance Name: beta-Cyclodextrin, heptakis(hydrogen sulfate)
RN: 120825-98-1
InChIKey: JFDDAIKYFLAHSD-FOUAGVGXSA-N

Molecular Formula

  • C40-H70-O56-S7

Molecular Weight

  • 1695.421
 
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Names and Synonyms

Synonyms

  • 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, b-cyclodextrin deriv.
  • b.-C7(D)-7(SO2OH)
  • beta-Cycloheptadextrin heptasulfate

Systematic Name

  • beta-Cyclodextrin, heptakis(hydrogen sulfate)

Registry Numbers

CAS Registry Number

  • 120825-98-1

System Generated Number

  • 0120825981

Structure Descriptors

InChI

1S/C42H70O56S7/c43-15-22(50)36-85-8(1-78-99(57,58)59)29(15)92-37-23(51)16(44)31(10(86-37)3-80-101(63,64)65)94-39-25(53)18(46)33(12(88-39)5-82-103(69,70)71)96-41-27(55)20(48)35(14(90-41)7-84-105(75,76)77)98-42-28(56)21(49)34(13(91-42)6-83-104(72,73)74)97-40-26(54)19(47)32(11(89-40)4-81-102(66,67)68)95-38-24(52)17(45)30(93-36)9(87-38)2-79-100(60,61)62/h8-56H,1-7H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)/t8-,9-,10-,11-,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-/m1/s1

InChIKey

JFDDAIKYFLAHSD-FOUAGVGXSA-N

Smiles

O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]4O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]6O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]7O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]8O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]1O[C@@H]2COS(=O)(=O)O)[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