Methyl cyclodextrin

Structural Information

Molecular Formula

C₃₇H₆₂O₃₀

SMILES

CO[C@@H]1[C@H]([C@@H]2O[C@@H]([C@@H]1O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@@H]7[C@@H]([C@H]([C@H](O2)[C@H](O7)CO)O)O)O)O)O)O)O)O)O)O)CO)O

InChI

InChI=1S/C37H62O30/c1-55-31-24(54)37-61-13(7-43)30(31)67-36-23(53)18(48)28(11(5-41)60-36)65-34-21(51)16(46)26(9(3-39)58-34)63-32-19(49)14(44)25(8(2-38)56-32)62-33-20(50)15(45)27(10(4-40)57-33)64-35-22(52)17(47)29(66-37)12(6-42)59-35/h8-54H,2-7H2,1H3/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-/m1/s1

InChIKey

BQRANNDMQDMQNE-MNMJOMGUSA-N

Compound name

(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-41-methoxy-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,42-undecol

Related CIDs

• CID 129627963