Cas no 129691-30-1 (8,11,14-Eicosatrienoicacid, 1,2,3-propanetriyl ester (9CI))
129691-30-1 structure
Product Name:8,11,14-Eicosatrienoicacid, 1,2,3-propanetriyl ester (9CI)
CAS No:129691-30-1
MF:C63H104O6
MW:957.496280670166
CID:185431
PubChem ID:6450100
Update Time:2025-04-19
8,11,14-Eicosatrienoicacid, 1,2,3-propanetriyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- 8,11,14-Eicosatrienoicacid, 1,2,3-propanetriyl ester (9CI)
- 2,3-bis[[(8E,11E,14E)-icosa-8,11,14-trienoyl]oxy]propyl (8E,11E,14E)-icosa-8,11,14-trienoate
- tridihomo-gamma-linolenoylglycerol
- 1,2,3-Propanetriyl 8,11,14-eicosatrienoate
- 8,11,14-Eicosatrienoic acid, 1,2,3-propanetriyl ester
- Dgla-TG
- propane-1,2,3-triyl (8E,11E,14E,8'E,11'E,14'E,8''E,11''E,14''E)tris-icosa-8,11,14-trienoate
- Tris(dihomo-gamma-linolenoyl)glycerol
- 129691-30-1
-
- Inchi： 1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,60H,4-15,22-24,31-33,40-59H2,1-3H3/b19-16+,20-17+,21-18+,28-25+,29-26+,30-27+,37-34+,38-35+,39-36+
- InChI Key： PMEABGYOVGWCSQ-XQKNJCGWSA-N
- SMILES： O(C(CCCCCC/C=C/C/C=C/C/C=C/CCCCC)=O)C(COC(CCCCCC/C=C/C/C=C/C/C=C/CCCCC)=O)COC(CCCCCC/C=C/C/C=C/C/C=C/CCCCC)=O
Computed Properties
- Exact Mass: 956.783291
- Monoisotopic Mass: 956.783291
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 69
- Rotatable Bond Count: 53
- Complexity: 1350
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 9
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 78.9
- XLogP3: 21.5
Experimental Properties
- Density: 0.937
- Boiling Point: 864.8°C at 760 mmHg
- Flash Point: 315°C
- Refractive Index: 1.498
- PSA: 78.90000
- LogP: 19.09370
8,11,14-Eicosatrienoicacid, 1,2,3-propanetriyl ester (9CI) Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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