Cholesteryl erucate

CAS Registry Number®

24516-39-0

CAS Name

Cholesteryl erucate

Molecular Formula

C49H86O2

Molecular Mass

707.21

Cite this Page

Cholesteryl erucate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24516-39-0 (retrieved 2024-11-23) (CAS RN: 24516-39-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H86O2/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/h14-15,30,39-40,42-46H,7-13,16-29,31-38H2,1-6H3/b15-14-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1

InChIKey

InChIKey=SQHUGNAFKZZXOT-QXAJUEOOSA-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(CCCCCCCCCCC/C=C\CCCCCCCC)=O)CC2)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-(13Z)-13-docosenoate
  • Cholesterol, 13-docosenoate, (Z)-
  • Cholest-5-en-3-ol (3β)-, 13-docosenoate, (Z)-
  • Cholesterol, 13-docosenoate
  • Cholest-5-en-3-ol (3β)-, (13Z)-13-docosenoate

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