Hexakis-(6-Mercapto-6-deoxy)-α-Cyclodextrin

CAS	180839-60-5
Synonyms	Hexakis-(6-Mercapto-6-deoxy)-α-Cyclodextrin
IUPAC Name	(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(sulfanylmethyl)-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-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
Molecular Weight	1069.24
Molecular Formula	C36H60O24S6
Canonical SMILES	C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)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](O2)[C@@H]([C@H]7O)O)CS)CS)CS)CS)CS)O)O)S
InChI	InChI=1S/C36H60O24S6/c37-13-19(43)31-49-7(1-61)25(13)55-32-20(44)14(38)27(9(3-63)50-32)57-34-22(46)16(40)29(11(5-65)52-34)59-36-24(48)18(42)30(12(6-66)54-36)60-35-23(47)17(41)28(10(4-64)53-35)58-33-21(45)15(39)26(56-31)8(2-62)51-33/h7-48,61-66H,1-6H2/t7-,8-,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-/m1/s1
InChI Key	HJTFXNLRBHAIHN-RWMJIURBSA-N
Purity	98%
Density	1.531±0.06 g/ml
Appearance	White to off-white powder