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Structure

Cholesteryl tosylate

CAS
1182-65-6
Catalog Number
ACM1182656
Category
Steroidal Compounds
Molecular Weight
540.84
Molecular Formula
C34H52O3S

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Specification

Synonyms
Cholesteryl tosylate;3-beta-Hydroxy-5-cholestene 3-tosylate;3beta-3-(4-Methylbenzenesulfonate)cholest-5-en-3-ol
IUPAC Name
CHOLESTERYL TOSYLATE
Boiling Point
617.5ºC at 760 mmHg
Flash Point
327.2ºC
Density
1.09g/cm³
Exact Mass
540.36400
What is the molecular formula of cholesteryl tosylate?

The molecular formula of cholesteryl tosylate is C34H52O3S.

What is the molecular weight of cholesteryl tosylate?

The molecular weight of cholesteryl tosylate is 540.8 g/mol.

What is the IUPAC name of cholesteryl tosylate?

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.

What is the InChI of cholesteryl tosylate?

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.

What is the InChIKey of cholesteryl tosylate?

The InChIKey of cholesteryl tosylate is RNZDACWUXZHQMI-CRQOXBRUSA-N.

What is the Canonical SMILES of cholesteryl tosylate?

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.

What is the Isomeric SMILES of cholesteryl tosylate?

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.

What is the CAS number of cholesteryl tosylate?

The CAS number of cholesteryl tosylate is 1182-65-6.

What is the European Community (EC) number of cholesteryl tosylate?

The European Community (EC) number of cholesteryl tosylate is 214-657-8.

What is the XLogP3-AA value of cholesteryl tosylate?

The XLogP3-AA value of cholesteryl tosylate is 10.6.

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