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CHEBI:195327 - HYDROXYPROPYL BETADEX

Default Structure
ChEBI IDCHEBI:195327
ChEBI NameHYDROXYPROPYL BETADEX
Stars
Submitterwctseng
DownloadsMolfile
FormulaC60H106O40
Net Charge0
Average Mass1467.468
Monoisotopic Mass1466.62604
SMILES[H][C@]12O[C@H](COCC(C)O)[C@]([H])(C[C@H]1O)O[C@@]1([H])O[C@H](COCC(C)O)[C@@]([H])(O[C@@]3([H])O[C@H](CO)[C@@]([H])(O[C@@]4([H])O[C@H](COCC(C)O)[C@@]([H])(O[C@@]5([H])O[C@H](CO)[C@@]([H])(O[C@@]6([H])O[C@H](CO)[C@@]([H])(O[C@@]7([H])O[C@H](CO)[C@@]([H])(O2)[C@H](O)[C@H]7OCC(C)O)[C@H](O)[C@H]6OCC(C)O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](OCC(C)O)[C@H]3O)[C@H](O)[C@H]1O
InChIInChI=1S/C60H106O40/c1-21(65)12-81-18-33-28-7-27(71)54(92-33)95-46-30(9-62)90-60(52(42(46)78)85-16-25(5)69)99-47-31(10-63)91-59(53(43(47)79)86-17-26(6)70)98-45-29(8-61)88-56(40(76)36(45)72)96-48-35(20-83-14-23(3)67)94-57(41(77)38(48)74)100-50-32(11-64)89-58(44(80)51(50)84-15-24(4)68)97-49-34(19-82-13-22(2)66)93-55(87-28)39(75)37(49)73/h21-80H,7-20H2,1-6H3/t21?,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
InChIKeyFCVINZIHPISTIY-YBOQSWHISA-N
ChEBI Ontology
Outgoing Relation(s)
HYDROXYPROPYL BETADEX (CHEBI:195327) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
2-Hydroxypropyl-beta-cyclodextrinSUBMITTER
HPBCDSUBMITTER
Hydroxypropyl BCDSUBMITTER
Registry NumbersSources
CAS:94035-02-6SUBMITTER