| CAS Number | 104346-53-4 |
| Catalog Number | AG00861R(AGN-PC-0OT8HE) |
| Chemical Name | rac 1-Oleoyl-3-linoleoylglycerol |
| IUPAC Name | [2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-octadec-9-enoate |
| InChI | InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,37,40H,3-10,12,14-16,21-36H2,1-2H3/b13-11-,19-17-,20-18- |
| InChI Key | GREDRAMJRDQWEJ-LTEAFHAISA-N |
| MDL Number | MFCD00673510 |
| Molecular Formula | C39H70O5 |
| Molecular Weight | 618.9701 |
| SMILES | CCCCCCCCC=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=C/CC=C/CCCCC |
| Synonyms | rac 1-Oleoyl-3-linoleoylglycerol,
1-Oleoyl-3-linoleoyl-rac-glycerol,
diacylglycerol(18:1/0:0/18:2),
104346-53-4,
DG(18:1/0:0/18:2),
1-Linoleic-3-olein,
1-oleoyl-3-linoleoylglycerol,
Glycerol 1-oleate 3-linolate,
CHEBI:133484,
diacylglycerol(18:1(9Z)/0:0/18:2(9Z,12Z)),
DG(18:1(9Z)/0:0/18:2(9Z,12Z)),
2-hydroxy-3-{[(9Z)-octadec-9-enoyl]oxy}propyl (9Z,12Z)-octadeca-9,12-dienoate,
(9Z,12Z)-9,12-Octadecadienoic Acid 2-Hydroxy-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester,
Diacylglycerol(18:1/18:2),
DG(18:1/18:2),
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| Complexity | 711 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Exact Mass | 618.522g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 618.984g/mol |
| Monoisotopic Mass | 618.522g/mol |
| Rotatable Bond Count | 35 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 13.7 |
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Certificate of Analysis
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