Cholesteryl cervonate

CAS Registry Number®

70110-50-8
No image available.

CAS Name

Cholesteryl cervonate

Molecular Formula

C49H76O2

Molecular Mass

697.13

Cite this Page

Cholesteryl cervonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70110-50-8 (retrieved 2024-09-20) (CAS RN: 70110-50-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H76O2/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/h8-9,11-12,14-15,17-18,20-21,23-24,30,39-40,42-46H,7,10,13,16,19,22,25-29,31-38H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1

InChIKey

InChIKey=VOEVEGPMRIYYKC-HNJOWPRISA-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(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CC2)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate
  • Cholest-5-en-3-ol (3β)-, (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate
  • Cholesteryl cervonate
  • Cholesteryl (all-Z)-4,7,10,13,16,19-docosahexaenoate

Deleted or Replaced CAS Registry Numbers

99570-74-8, 61510-11-0