CAS 174010-62-9 Mono-6-O-mesitylenesulfonyl-gamma-cyclodextrin

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Mono-6-O-mesitylenesulfonyl-gamma-cyclodextrin

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Catalog Number

ACM174010629

Product Name

Mono-6-O-mesitylenesulfonyl-gamma-cyclodextrin

CAS

174010-62-9

Category

Macrocycles

IUPAC Name

[41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-5,10,15,25,30,35,40-heptakis(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-20-yl]methyl 2,4,6-trimethylbenzenesulfonate

Molecular Weight

1479.4g/mol

Molecular Formula

C57H90O42S

Canonical SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)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(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(O3)C(C1O)O)CO)CO)CO)CO)CO)CO)CO)O)O)C

InChI

InChI=1S/C57H90O42S/c1-14-4-15(2)49(16(3)5-14)100(81,82)83-13-24-48-32(72)40(80)57(91-24)98-47-23(12-64)89-55(38(78)30(47)70)96-45-21(10-62)87-53(36(76)28(45)68)94-43-19(8-60)85-51(34(74)26(43)66)92-41-17(6-58)84-50(33(73)25(41)65)93-42-18(7-59)86-52(35(75)27(42)67)95-44-20(9-61)88-54(37(77)29(44)69)97-46-22(11-63)90-56(99-48)39(79)31(46)71/h4-5,17-48,50-80H,6-13H2,1-3H3

InChI Key

JINRRYVZBGTIER-UHFFFAOYSA-N

Complexity

2650

Covalently-Bonded Unit Count

Exact Mass

1478.462738g/mol

Formal Charge

Heavy Atom Count

100

Monoisotopic Mass

1478.462738g/mol