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Substance Name: Cyclomaltoheptaose-1-adamantanemethanol
RN: 101412-93-5
InChIKey: NXYKOJRRZLCQBW-DCNYAWAYSA-N

Molecular Formula

  • C42-H70-O35.C11-H18-O.3H2-O

Molecular Weight

  • 1355.29
 
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Names and Synonyms

Name of Substance

  • Cyclomaltoheptaose-1-adamantanemethanol

Synonym

  • Cmh-AM

Systematic Name

  • beta-Cyclodextrin, compd. with tricyclo(3.3.1.13,7)decane-1-methanol (1:1), trihydrate

Registry Numbers

CAS Registry Number

  • 101412-93-5

System Generated Number

  • 0101412935

Molecular Formulas

Molecular Formula

  • C42-H70-O35.C11-H18-O.3H2-O

Molecular Formula Fragments

  • C11-H18-O
  • C42-H70-O35
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C42H70O35.C11H18O.3H2O/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;12-7-11-4-8-1-9(5-11)3-10(2-8)6-11;;;/h8-63H,1-7H2;8-10,12H,1-7H2;3*1H2/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

NXYKOJRRZLCQBW-DCNYAWAYSA-N

Smiles

C1C2CC3CC1CC(C3)(CO)C2.O.O.O.O1[C@@H]2[C@@H](O[C@H](O[C@@H]3[C@@H](O[C@H](O[C@@H]4[C@@H](O[C@H](O[C@@H]5[C@@H](O[C@H](O[C@H]6[C@H]([C@H]([C@@H](O[C@H]7[C@H]([C@H]([C@@H](O[C@H]8[C@H]([C@H]([C@@H]1O[C@@H]8CO)O)O)O[C@@H]7CO)O)O)O[C@@H]6CO)O)O)[C@@H]([C@@H]5O)O)CO)[C@@H]([C@@H]4O)O)CO)[C@@H]([C@@H]3O)O)CO)[C@@H]([C@@H]2O)O)CO