Cas no 1452-29-5 (Chol-4-en-24-oic acid,3-oxo-)
Chol-4-en-24-oic acid,3-oxo- structure
Product Name:Chol-4-en-24-oic acid,3-oxo-
Chol-4-en-24-oic acid,3-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Chol-4-en-24-oic acid,3-oxo-
- (S)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
- 4-Cholenic acid-3-one
- (17alpha)-3-oxochol-4-en-24-oic acid
- 3-oxochol-4-en-24-oic acid
- 1452-29-5
- Chol-4-en-24-oic acid, 3-oxo-
- DTXSID90932528
- (4R)-4-[(8S,9S,10R,13R,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
- (+)-3-Oxo-chol-4-en-24-oic acid
- 3-Oxo-chol-4-en-24-oic acid
- SCHEMBL1655219
- (4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
- (R)-4-((8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
- 3-oxo-4-cholenoic acid
- CHEBI:176827
- 3-oxochol-4-ene-24-oic acid
- '(R)-4-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid'
- LMST04010233
-
- Inchi： 1S/C24H36O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h14-15,18-21H,4-13H2,1-3H3,(H,26,27)/t15-,18+,19+,20+,21+,23+,24-/m1/s1
- InChI Key： WCFIGQHNBJXROP-MYDAXSSOSA-N
- SMILES： O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@H]([C@H](C)CCC(=O)O)CC[C@H]43)[C@@]2(C)CC1
Computed Properties
- Exact Mass: 372.26644501g/mol
- Monoisotopic Mass: 372.26644501g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 665
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.4
- Topological Polar Surface Area: 54.4?2
Chol-4-en-24-oic acid,3-oxo- Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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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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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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