9-Octadecenoic-1-13C acid, 1,2,3-propanetriyl ester, (9Z,9′Z,9′′Z)-

CAS Registry Number®

82005-46-7

CAS Name

9-Octadecenoic-1-13C acid, 1,2,3-propanetriyl ester, (9Z,9′Z,9′′Z)-

Molecular Formula

C57H104O6

Cite this Page

9-Octadecenoic-1-13C acid, 1,2,3-propanetriyl ester, (9Z,9′Z,9′′Z)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82005-46-7 (retrieved 2024-11-22) (CAS RN: 82005-46-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/i55+1,56+1,57+1

InChIKey

InChIKey=PHYFQTYBJUILEZ-UBEHWWNBSA-N

SMILES

C(O[13C](CCCCCCC/C=C\CCCCCCCC)=O)(CO[13C](CCCCCCC/C=C\CCCCCCCC)=O)CO[13C](CCCCCCC/C=C\CCCCCCCC)=O

Canonical SMILES

O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC

Other Names for this Substance

  • 9-Octadecenoic-1-13C acid, 1,2,3-propanetriyl ester, (9Z,9′Z,9′′Z)-
  • 9-Octadecenoic-1-13C acid, 1,2,3-propanetriyl ester, (Z,Z,Z)-
  • 13C-Triolein

CAS INSIGHTSTM
Targeted protein degrader structure, illustration