Cas no 67318-71-2 (triolein, [carboxyl-14c])
![triolein, [carboxyl-14c] structure](https://ossimg.kuujia.com/scimg/67500/67318-71-2x500.png)
triolein, [carboxyl-14c] structure
Product Name:triolein, [carboxyl-14c]
CAS No:67318-71-2
MF:C57H104O6
MW:891.4097032547
CID:965806
PubChem ID:12313709
Update Time:2025-04-19
triolein, [carboxyl-14c] Chemical and Physical Properties
Names and Identifiers
-
- triolein, [carboxyl-14c]
- TRIOLEIN, 1-C-14
- Olein-(oleoyl-1-14C)3
- 9-OCTADECENOIC-1-14C ACID, 1,2,3-PROPANETRIYL ESTER, (9Z,9'Z,9''Z)-
- 67318-71-2
- 9-OCTADECENOIC-1-14C ACID, 1,2,3-PROPANETRIYL ESTER, (Z,Z,Z)-
- 2ZML2Z5Q7B
- Triolein,[carboxyl-14c]
-
- 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/b28-25-,29-26-,30-27-/i55+2,56+2,57+2
- InChI Key： PHYFQTYBJUILEZ-ANJTYSBLSA-N
- SMILES： O([14C](CCCCCCC/C=C\CCCCCCCC)=O)C(CO[14C](CCCCCCC/C=C\CCCCCCCC)=O)CO[14C](CCCCCCC/C=C\CCCCCCCC)=O
Computed Properties
- Exact Mass: 890.7930170g/mol
- Monoisotopic Mass: 890.7930170g/mol
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 63
- Rotatable Bond Count: 53
- Complexity: 1010
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- XLogP3: 22.4
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 78.90000
- LogP: 18.09710
triolein, [carboxyl-14c] Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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