Hydroxypropyl betadex

Structural Information

Molecular Formula

C₆₀H₁₀₆O₄₀

SMILES

CC(COC[C@@H]1[C@@H]2C[C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)OCC(C)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)OCC(C)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OCC(C)O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)COCC(C)O)CO)COCC(C)O)CO)CO)CO)O)O

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

Compound name

(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18S,20R,21S,23R,25R,26R,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,45R,46S,47R,48S,49R)-5,10,25,35-tetrakis(hydroxymethyl)-40,47,49-tris(2-hydroxypropoxy)-15,20,30-tris(2-hydroxypropoxymethyl)-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-36,37,38,39,41,42,43,45,46,48-decol

Related CIDs

• CID 138059664