1,3-Distearoyl-2-oleoylglycerol
PubChem CID: 13183956
Connections displayed (default: 10).
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| Compound Synonyms | 2846-04-0, 1,3-distearoyl-2-oleoyl glycerol, 1,3-Distearoyl-2-oleoylglycerol, 2-Oleo-1,3-distearin, Glyceryl 1,3-distearate-2-oleate, 1 3-DISTEAROYL-2-OLEOYLGLYCEROL, 1,3-Distearo-2-olein, 4KE1Y9738S, DTXSID301304181, GLYCERYL 2-OLEOYL-1,3-DISTEARATE, [3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] octadecanoate, 2-Oeoyl-1,3-distearin, 1,3-Distearoyl-2-olein, TG(18:0/18:1(9Z)/18:0), Olein, 1,3-distearo-2-, UNII-4KE1Y9738S, EINECS 220-643-2, SOS-beta-1, SOS-POP beta1, 2-((1-Oxooctadecyl)oxy)-1-(((1-oxooctadecyl)oxy)methyl)ethyl oleate, TRIGLYCERIDE STOST,SN, SCHEMBL637876, 2-oleoyl-1,3-distearoylglycerol, RBLADLVPSYELCA-IKPAITLHSA-N, 1,3-distearoyl-2-oleoyl-glycerol, DTXCID801734204, 1,3-DS-2-OG, sn-1,3-distearoyl-2-oleoylglycerol, AKOS040756386, 1,3-Distearoyl-2-Oleoyl-rac-glycerol, 2-((1-Oxooctadecyl)oxy)-1-(((1-oxooctadecyl)oxy)methyl)ethyl 9-octadecenoate, (Z)-, 9-Octadecenoic acid (Z)-, 2-((1-oxooctadecyl)oxy)-1-(((1-oxooctadecyl)oxy)methyl)ethyl ester, 1-Stearoyl-2-oleoyl-3-stearoyl-glycerol, BP-29832, PD120034, 1,3-disteroyl-2-oleoyl glycerol (StOSt), 2-(Oleoyloxy)propane-1,3-diyl distearate, DB-322659, NS00049251, 1,3-DI-O-STEAROYL-2-O-OLEOYLGLYCEROL, Q27259880, 1-Octadecanoyl-2-(9Z-octadecenoyl)-3-octadecanoyl-glycerol, (1,3-distearoyl-2-oleoylglycerol) (1,3-dipalmitoyl-2-oleoylglycerol), 9-OCTADECENOIC ACID (9Z)-, 2-((1-OXOOCTADECYL)OXY)-1-(((1-OXOOCTADECYL)OXY)METHYL)ETHYL ESTER |
|---|---|
| Topological Polar Surface Area | 78.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 63.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 928.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] octadecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 24.3 |
| Molecular Formula | C57H108O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RBLADLVPSYELCA-IKPAITLHSA-N |
| Fcsp3 | 0.912280701754386 |
| Logs | -4.833 |
| Rotatable Bond Count | 55.0 |
| Logd | 6.506 |
| Compound Name | 1,3-Distearoyl-2-oleoylglycerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 888.815 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 888.815 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 889.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -17.008606999999994 |
| Inchi | InChI=1S/C57H108O6/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/h27,30,54H,4-26,28-29,31-53H2,1-3H3/b30-27- |
| Smiles | CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaomorpha Coronans (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Garcinia Morella (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Picria Felterrae (Plant) Rel Props:Source_db:cmaup_ingredients