Cas no 14940-92-2 (Cholest-5-en-3-ol (3b)-, 7,10,13,16-docosatetraenoate(9CI))
14940-92-2 structure
Product Name:Cholest-5-en-3-ol (3b)-, 7,10,13,16-docosatetraenoate(9CI)
CAS No:14940-92-2
MF:C49H80O2
MW:701.158315658569
CID:204186
PubChem ID:44154075
Update Time:2025-04-19
Cholest-5-en-3-ol (3b)-, 7,10,13,16-docosatetraenoate(9CI) Chemical and Physical Properties
Names and Identifiers
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- Cholest-5-en-3-ol (3b)-, 7,10,13,16-docosatetraenoate(9CI)
- [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoate
- [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
- cholesteryl adrenate
- Cholesteryl docosatetraenoic acid
- 14940-92-2
- SCHEMBL23143294
- SCHEMBL23143293
- Cholest-5-en-3-ol (3beta)-, 7,10,13,16-docosatetraenoate
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- Inchi： 1S/C49H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h11-12,14-15,17-18,20-21,30,39-40,42-46H,7-10,13,16,19,22-29,31-38H2,1-6H3/b12-11+,15-14+,18-17+,21-20+/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1
- InChI Key： ITGTXSFLBABXQA-DRTVXACJSA-N
- SMILES： O(C(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21
Computed Properties
- Exact Mass: 700.6162
- Monoisotopic Mass: 700.616
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 51
- Rotatable Bond Count: 23
- Complexity: 1170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 4
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 16.7
Experimental Properties
- PSA: 26.3
Cholest-5-en-3-ol (3b)-, 7,10,13,16-docosatetraenoate(9CI) Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
14940-92-2 (Cholest-5-en-3-ol (3b)-, 7,10,13,16-docosatetraenoate(9CI)) Related Products
- 303-43-5(Cholesteryl oleate)
- 1062-96-0(Cholesteryl hexanoate)
- 604-33-1(Cholesterol Linoleate)
- 601-34-3(Cholesteryl palmitate)
- 521-13-1(Cholesteryl N-Butyrate)
- 1182-42-9(Cholesterol Caprylate)
- 1908-11-8(Cholesterol Laurate)
- 1989-52-2(Cholesterol myristate)
- 633-31-8([(8S,9R,10R,13R,14S)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate)
- 604-35-3(Cholesterol 3-Acetate)
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