10058-19-2 , 6-O-a-D-Glucosyl-a-cyclodextrin

10058-19-2 , 6-O-a-D-Glucosyl-a-cyclodextrin
C42H70O35 / 1134.98
MFCD00210296

6-O-a-D-Glucosyl-a-cyclodextrin

CAS Number	10058-19-2
Product 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-pentakis(hydroxymethyl)-30-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-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
IUPAC 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-pentakis(hydroxymethyl)-30-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-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 Formula	C42H70O35
Molecular Weight	1135 g/mol
InChI	InChI=1S/C42H70O35/c43-1-8-15(49)16(50)23(57)36(65-8)64-7-14-35-22(56)29(63)42(71-14)76-34-13(6-48)69-40(27(61)20(34)54)74-32-11(4-46)67-38(25(59)18(32)52)72-30-9(2-44)66-37(24(58)17(30)51)73-31-10(3-45)68-39(26(60)19(31)53)75-33-12(5-47)70-41(77-35)28(62)21(33)55/h8-63H,1-7H2/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-,38-,39-,40-,41-,42-/m1/s1
InChI Key	GIZQJUDQRHMFRK-AHIHXIOASA-N
SMILES	C(C1C(C(C(C(O1)OCC2C3C(C(C(O2)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O3)C(C8O)O)CO)CO)CO)CO)CO)O)O)O)O)O)O
Canonical SMILES	C(C1C(C(C(C(O1)OCC2C3C(C(C(O2)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O3)C(C8O)O)CO)CO)CO)CO)CO)O)O)O)O)O)O
Isomeric SMILES	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@H](O2)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]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O3)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)O)O)O)O)O)O