CAS 122-32-7|CAS 537-39-3|1,3-bis(octadec-9-enoyloxy)propan-2-yl octadec-9-enoate|Trielaidin|1,3-bis(octadec-9-enoyloxy)propan-2-yl octadec-9-enoate|Glycerol 1,2,3-tri(trans-9-octadecenoate)|GLYCERY...

General Information

Structure

Molecular Formula

C₅₇H₁₀₄O₆

Molecular Mass

885.43206

Exact Mass

884.78329105

Charge

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

InChIKey

PHYFQTYBJUILEZ-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCC/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC

Isomeric Smiles

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

20.505795

LogD (pH = 7.4)

20.505795

Log P

20.505795

Molar Refractivity

272.2461

Polarizability

107.34218

Polar Surface Area

78.9

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

IUPAC name

1,3-bis(octadec-9-enoyloxy)propan-2-yl octadec-9-enoate 1,3-bis[(9E)-octadec-9-enoyloxy]propan-2-yl (9E)-octadec-9-enoate

Synonyms

TrielaidinGlycerol 1,2,3-tri(trans-9-octadecenoate)GLYCERYLTRIOLEATE,TECHTRIOLEINGlycerol trioleateGlyceryl trielaidate1,2,3-Tri(cis-9-octadecenoyl)glycerol甘油三油酸酯Oleic triglycerideTG(18:1(9Z)/18:1(9Z)/18:1(9Z))Glycerol trioleinOleic acid triglyceride(9Z)9-Octadecenoic acid 1,2,3-propanetriyl esterTrioleinGlyceryl trioleate

IUPAC Traditional name

1,3-bis(octadec-9-enoyloxy)propan-2-yl octadec-9-enoate trielaidin

Names and Identifiers

Registration numbers

MeSH Name

Triolein

Unique Ingredient Identifier

O05EC62663

PubChem CID

54971635364673

CHEBI ID

53753