Cholesterol trans-cinnamate

CAS Registry Number®

50305-81-2

CAS Name

Cholesterol trans-cinnamate

Molecular Formula

C36H52O2

Molecular Mass

516.80

Cite this Page

Cholesterol trans-cinnamate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50305-81-2 (retrieved 2024-11-26) (CAS RN: 50305-81-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H52O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-15,19,25-26,29-33H,9-11,16-18,20-24H2,1-5H3/b19-14+/t26-,29+,30+,31-,32+,33+,35+,36-/m1/s1

InChIKey

InChIKey=FESYLMLHRKCTFF-MFLJIVHPSA-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(/C=C/C5=CC=CC=C5)=O)CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)C=CC=5C=CC=CC5

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-[(2E)-3-phenyl-2-propenoate]
  • Cholest-5-en-3-ol (3β)-, 3-phenyl-2-propenoate, (E)-
  • Cholest-5-en-3-ol (3β)-, (2E)-3-phenyl-2-propenoate
  • Cholesterol trans-cinnamate
  • Cholesteryl trans-cinnamate

Deleted or Replaced CAS Registry Numbers

346420-26-6

CAS INSIGHTSTM
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