Cas no 74449-50-6 (9-Octadecenoic acid,12-hydroxy-, iron(3+) salt (3:1), (9Z,12R)-)
74449-50-6 structure
Product Name:9-Octadecenoic acid,12-hydroxy-, iron(3+) salt (3:1), (9Z,12R)-
CAS No:74449-50-6
MF:C162H297FeO27
MW:2732.92043757439
CID:572665
PubChem ID:91800252
Update Time:2025-04-19
9-Octadecenoic acid,12-hydroxy-, iron(3+) salt (3:1), (9Z,12R)- Chemical and Physical Properties
Names and Identifiers
-
- 9-Octadecenoic acid,12-hydroxy-, iron(3+) salt (3:1), (9Z,12R)-
- iron triricinoleate
- ferric (Z,12R)-12-hydroxyoctadec-9-enoate
- Ferric ricinoleate
- EINECS 277-877-3
- Iron(III) Triricinolate
- UNII-300Y3379NA
- Q27255882
- TRIS((9Z,12R)-12-HYDROXY-9-OCTADECENOIC ACID)IRON(III) SALT
- 9-OCTADECENOIC ACID, 12-HYDROXY-, IRON(3+) SALT (3:1), (9Z,12R)-
- 74449-50-6
- J349.403I
- FERRIC RICINOLEATE, (-)-
- 300Y3379NA
- IRON(3+) TRIS((9Z,12R)-12-HYDROXY-9-OCTADECENOATE)
-
- Inchi： 1S/9C18H34O3.Fe/c9*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;;;;;;;;+3/p-9/b9*12-9-;/t9*17-;/m111111111./s1
- InChI Key： UPGCJBOCBAULED-AVNKZVKCSA-E
- SMILES： [Fe+3].O[C@@H](C/C=C\CCCCCCCC(=O)[O-])CCCCCC.O[C@@H](C/C=C\CCCCCCCC(=O)[O-])CCCCCC.O[C@@H](C/C=C\CCCCCCCC(=O)[O-])CCCCCC.O[C@@H](C/C=C\CCCCCCCC(=O)[O-])CCCCCC.O[C@@H](C/C=C\CCCCCCCC(=O)[O-])CCCCCC.O[C@@H](C/C=C\CCCCCCCC(=O)[O-])CCCCCC.O[C@@H](C/C=C\CCCCCCCC(=O)[O-])CCCCCC.O[C@@H](C/C=C\CCCCCCCC(=O)[O-])CCCCCC.O[C@@H](C/C=C\CCCCCCCC(=O)[O-])CCCCCC
Computed Properties
- Exact Mass: 947.664
- Monoisotopic Mass: 947.664
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 64
- Rotatable Bond Count: 42
- Complexity: 256
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 181A^2
9-Octadecenoic acid,12-hydroxy-, iron(3+) salt (3:1), (9Z,12R)- Related Literature
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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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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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