CHEBI:195327 - HYDROXYPROPYL BETADEX

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name HYDROXYPROPYL BETADEX
ChEBI ID CHEBI:195327
Stars This entity has been manually annotated by a third party.
Submitter Wei-Chia Tseng
Supplier Information
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Formula C60H106O40
Net Charge 0
Average Mass 1467.468
Monoisotopic Mass 1466.62604
InChI InChI=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
InChIKey FCVINZIHPISTIY-YBOQSWHISA-N
SMILES [C@]12([C@@H]([C@H]([C@]([C@H](O1)CO)([H])O[C@@]3([C@@H](C[C@]([C@H](O3)COCC(O)C)([H])O[C@@]4([C@@H]([C@H]([C@]([C@H](O4)COCC(C)O)([H])O[C@@]5([C@@H]([C@H]([C@]([C@H](O5)CO)([H])O[C@@]6([C@@H]([C@H]([C@]([C@H](O6)COCC(C)O)([H])O[C@@]7([C@@H]([C@H]([C@]([C@H](O7)CO)([H])O[C@@]8([C@@H]([C@H]([C@]([C@H](O8)CO)([H])O2)O)OCC(C)O)[H])O)O)[H])O)O)[H])OCC(C)O)O)[H])O)O)[H])O)[H])O)OCC(C)O)[H]
ChEBI Ontology
Outgoing HYDROXYPROPYL BETADEX (CHEBI:195327) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
2-Hydroxypropyl-beta-cyclodextrin SUBMITTER
HPBCD SUBMITTER
Hydroxypropyl BCD SUBMITTER
Registry Number Type Source
94035-02-6 CAS Registry Number SUBMITTER