Cholesteryl 2,4-dichlorobenzoate

CAS Registry Number®

32832-01-2

CAS Name

Cholesteryl 2,4-dichlorobenzoate

Molecular Formula

C34H48Cl2O2

Molecular Mass

559.65

Cite this Page

Cholesteryl 2,4-dichlorobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=32832-01-2 (retrieved 2025-01-03) (CAS RN: 32832-01-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    133.7 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C34H48Cl2O2/c1-21(2)7-6-8-22(3)28-13-14-29-26-11-9-23-19-25(38-32(37)27-12-10-24(35)20-31(27)36)15-17-33(23,4)30(26)16-18-34(28,29)5/h9-10,12,20-22,25-26,28-30H,6-8,11,13-19H2,1-5H3/t22-,25+,26+,28-,29+,30+,33+,34-/m1/s1

InChIKey

InChIKey=NZZFKZMKJPWVDL-XBGNAKIGSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(CC=C1C[C@@H](OC(=O)C5=C(Cl)C=C(Cl)C=C5)CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)C5=CC=C(Cl)C=C5Cl

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-(2,4-dichlorobenzoate)
  • Cholesterol, 2,4-dichlorobenzoate
  • Cholest-5-en-3-ol (3β)-, 2,4-dichlorobenzoate
  • Cholesteryl 2,4-dichlorobenzoate

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