9-Octadecenoic-1-13C acid, 1,2,3-propanetriyl ester, (9Z,9′Z,9′′Z)-
CAS Registry Number®
82005-46-7
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CAS Name
9-Octadecenoic-1-13C acid, 1,2,3-propanetriyl ester, (9Z,9′Z,9′′Z)-Molecular Formula
C57H104O6Cite 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/ChemicalDetail.aspx?ref=82005-46-7 (retrieved ) (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
