Structural formula of Tristearin-1,1,1-13C3

Tristearin-1,1,1-13C3

Product number: 78-1890
CAS number: 287100-84-9

Identifiers

CAS Index Name: Octadecanoic-1-13C acid, 1,2,3-propanetriyl ester
Molecular formula: C57H110O6
Molecular weight: 894.46
Smiles: O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
Isomeric Smiles: C(O[13C](CCCCCCCCCCCCCCCCC)=O)(CO[13C](CCCCCCCCCCCCCCCCC)=O)CO[13C](CCCCCCCCCCCCCCCCC)=O
InChI: InChI=1S/C57H110O6/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/h54H,4-53H2,1-3H3/i55+1,56+1,57+1
InChIKey: InChIKey=DCXXMTOCNZCJGO-FIXLHGMNSA-N

Product information

Purity: >98%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Ask for MSDS

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78-1890-7Tristearin-1,1,1-13C3 - mg362.00