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Reference substances

Reference substances

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General information

Inventory

EC number:
248-122-5
EC name:
1,2,3-propanetriyl triisooctadecanoate
CAS number:
26942-95-0

No inventory information available

Reference substance information

IUPAC name:
Isooctadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
Synonyms
Names:
Isooctadecanoic acid, 1,2,3-propanetriyl ester
Isostearic acid triglyceride
Identifier:
IUPAC name
1,2,3-propanetriyl triisooctadecanoate
Identifier:
other: SMILES notation
not available, substance is UVCB
Identifier:
other: InChl
not available, substance is UVCB

CAS information

CAS number:
26942-95-0

Molecular and structural information

Molecular formula:
C57H110O6
Molecular weight:
891
SMILES notation:
CC(C)CCCCCCCCCCCCCCC(OCC(OC(CCCCCCCCCCCCCCC(C)C)=O)COC(CCCCCCCCCCCCCCC(C)C)=O)=O
InChl:
InChI=1S/C57H110O6/c1-51(2)43-37-31-25-19-13-7-10-16-22-28-34-40-46-55(58)61-49-54(63-57(60)48-42-36-30-24-18-12-9-15-21-27-33-39-45-53(5)6)50-62-56(59)47-41-35-29-23-17-11-8-14-20-26-32-38-44-52(3)4/h51-54H,7-50H2,1-6H3
Structural formula:
Chemical structure