NCS
中国新化学物质查询
单-2-O-(对甲苯磺酰)-γ-环糊精(Mono-2-O-(p-toluenesulfonyl)-γ-cyclodextrin)
单-2-O-(对甲苯磺酰)-Γ-环糊精
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单-2-O-(对甲苯磺酰基)-γ-环糊精, (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41S,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,43,44,45,46,47,48,49,50,51,52,53,54,55,5 ;6-Pentadecahydroxy-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2.2.2.2.2.2.2]hex apentacont-42-yl 4-methylbenzenesulfonate
CAS号: 97227-32-2
IUPAC名称: [(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47S,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,42,43,44,45,46,47,49,50,51,52,53,54,55,56-pentadecahydroxy-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-48-yl] 4-methylbenzenesulfonate
分子式: C55H86O42S
分子量: 1451.311
InChI: InChI=1S/C55H86O42S/c1-14-2-4-15(5-3-14)98(79,80)97-47-38(78)46-23(13-63)88-55(47)96-45-22(12-62)87-53(37(77)30(45)70)94-43-20(10-60)85-51(35(75)28(43)68)92-41-18(8-58)83-49(33(73)26(41)66)90-39-16(6-56)81-48(31(71)24(39)64)89-40-17(7-57)82-50(32(72)25(40)65)91-42-19(9-59)84-52(34(74)27(42)67)93-44-21(11-61)86-54(95-46)36(76)29(44)69/h2-5,16-78H,6-13H2,1H3/t16-,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-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m1/s1
InChIKey: USRILNNILPQZNC-SCLKBCEUSA-N
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H]([C@H]3[C@H](O[C@@H]2O[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]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O)O)O[C@@H]1[C@H](O[C@H](O3)[C@@H]([C@H]1O)O)CO)CO)CO)CO)CO)CO)CO)CO)O
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