Cholesteryl phenylacetate

CAS Registry Number®

33998-26-4

CAS Name

Cholesteryl phenylacetate

Molecular Formula

C35H52O2

Molecular Mass

504.79

Cite this Page

Cholesteryl phenylacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33998-26-4 (retrieved 2024-09-28) (CAS RN: 33998-26-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    119-120 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H52O2/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-27-23-28(37-33(36)22-26-12-7-6-8-13-26)18-20-34(27,4)32(29)19-21-35(30,31)5/h6-8,12-14,24-25,28-32H,9-11,15-23H2,1-5H3/t25-,28+,29+,30-,31+,32+,34+,35-/m1/s1

InChIKey

InChIKey=JHFRODPXYCPTCM-WASXNZKASA-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(CC5=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)CC=5C=CC=CC5

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-benzeneacetate
  • Cholest-5-en-3-ol (3β)-, benzeneacetate
  • Cholesterol, phenylacetate
  • Cholesteryl phenylacetate

Deleted or Replaced CAS Registry Numbers

364605-45-8

CAS INSIGHTSTM
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