Cholesteryl behenate

CAS Registry Number®

61510-09-6
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CAS Name

Cholesteryl behenate

Molecular Formula

C49H88O2

Molecular Mass

709.22

Cite this Page

Cholesteryl behenate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=61510-09-6 (retrieved 2024-04-28) (CAS RN: 61510-09-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    87.5-88 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C49H88O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h30,39-40,42-46H,7-29,31-38H2,1-6H3/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1

InChIKey

InChIKey=WBOQXYUYHINMOC-FTAWAYKBSA-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(CCCCCCCCCCCCCCCCCCCCC)=O)CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-docosanoate
  • Cholest-5-en-3-ol (3β)-, docosanoate
  • Cholesterol, docosanoate
  • Cholesteryl behenate
  • Cholesteryl docosanoate

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