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Substance Name: beta-Cyclodextrin, 6A,6B,6C,6D,6E,6F,6G-heptakis-O-(2-hydroxypropyl)-
RN: 107745-73-3
InChIKey: ODLHGICHYURWBS-LKONHMLTSA-N

Molecular Formula

  • C63-H112-O42

Molecular Weight

  • 1541.5358
 
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Names and Synonyms

Synonym

  • 6A,6B,6C,6D,6E,6F,6G-Heptakis-O-(2-hydroxypropyl)-beta-cyclodextrin

Systematic Name

  • beta-Cyclodextrin, 6A,6B,6C,6D,6E,6F,6G-heptakis-O-(2-hydroxypropyl)-

Registry Numbers

CAS Registry Number

  • 107745-73-3

System Generated Number

  • 0107745733

Structure Descriptors

InChI

1S/C63H112O42/c1-22(64)8-85-15-29-50-36(71)43(78)57(92-29)100-51-30(16-86-9-23(2)65)94-59(45(80)38(51)73)102-53-32(18-88-11-25(4)67)96-61(47(82)40(53)75)104-55-34(20-90-13-27(6)69)98-63(49(84)42(55)77)105-56-35(21-91-14-28(7)70)97-62(48(83)41(56)76)103-54-33(19-89-12-26(5)68)95-60(46(81)39(54)74)101-52-31(17-87-10-24(3)66)93-58(99-50)44(79)37(52)72/h22-84H,8-21H2,1-7H3/t22?,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-,61-,62-,63-/m1/s1

InChIKey

ODLHGICHYURWBS-LKONHMLTSA-N

Smiles

CC(O)COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COCC(C)O)O[C@H](O[C@@H]4[C@@H](COCC(C)O)O[C@H](O[C@@H]5[C@@H](COCC(C)O)O[C@H](O[C@@H]6[C@@H](COCC(C)O)O[C@H](O[C@@H]7[C@@H](COCC(C)O)O[C@H](O[C@@H]8[C@@H](COCC(C)O)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[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