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

Trioctanoin-1,1,1-13C3

Product number: 78-0890
CAS number: 65402-55-3
Synonyms: Octanoic-1-13C acid, 1,2,3-propanetriyl ester, 1,1′,1′′-(1,2,3-Propanetriyl) trioctanoate-1-13C, 1,2,3-propanetriol tris(octanoate-1-13c)

Identifiers

CAS Index Name: Octanoic-1-13C acid, 1,1′,1′′-(1,2,3-propanetriyl) ester
Molecular formula: C27H50O6
Molecular weight: 473.66
Smiles: O=C(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCC)CCCCCCC
Isomeric Smiles: C(CO[13C](CCCCCCC)=O)(CO[13C](CCCCCCC)=O)O[13C](CCCCCCC)=O
InChI: InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3/i25+1,26+1,27+1
InChIKey: InChIKey=VLPFTAMPNXLGLX-UTXJEHKQSA-N

Product information

Purity: >98%
Storage: Freezer
Supplied as: Neat
Physical state: Liquid
Documentation: Certificate of Analysis
MSDS: Download

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78-0890-12Trioctanoin-1,1,1-13C3 - 500 mg429.00
78-0890-13Trioctanoin-1,1,1-13C3 - 1 g629.00
78-0890-9Trioctanoin-1,1,1-13C3 - 100 mg146.00