Cholesteryl butyrate

CAS Registry Number®

521-13-1

CAS Name

Cholesteryl butyrate

Molecular Formula

C31H52O2

Molecular Mass

456.74

Cite this Page

Cholesteryl butyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=521-13-1 (retrieved 2024-11-22) (CAS RN: 521-13-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    102 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H52O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h12,21-22,24-28H,7-11,13-20H2,1-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1

InChIKey

InChIKey=CKDZWMVGDHGMFR-GTPODGLVSA-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(CCC)=O)CC2)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-butanoate
  • Cholesterol, butyrate
  • Cholest-5-en-3-ol (3β)-, butanoate
  • Butyric acid, cholesteryl ester
  • Cholesteryl butyrate

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