5210-15-1 Purity
95%
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Specification
The molecular formula of cholesteryl tosylate is C34H52O3S.
The molecular weight of cholesteryl tosylate is 540.8 g/mol.
The IUPAC name of cholesteryl tosylate is [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate.
The InChI of cholesteryl tosylate is InChI=1S/C34H52O3S/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-12-26-22-27(37-38(35,36)28-13-10-24(3)11-14-28)18-20-33(26,5)32(29)19-21-34(30,31)6/h10-14,23,25,27,29-32H,7-9,15-22H2,1-6H3/t25-,27+,29+,30-,31+,32+,33+,34-/m1/s1.
The InChIKey of cholesteryl tosylate is RNZDACWUXZHQMI-CRQOXBRUSA-N.
The Canonical SMILES of cholesteryl tosylate is CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCCC(C)C)C)C.
The Isomeric SMILES of cholesteryl tosylate is CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CC[C@@H]5[C@H](C)CCCC(C)C)C)C.
The CAS number of cholesteryl tosylate is 1182-65-6.
The European Community (EC) number of cholesteryl tosylate is 214-657-8.
The XLogP3-AA value of cholesteryl tosylate is 10.6.