Cas no 566-44-9 (1,(5-ALPHA)-CHOLESTEN-3-ONE)
1,(5-ALPHA)-CHOLESTEN-3-ONE structure
Product Name:1,(5-ALPHA)-CHOLESTEN-3-ONE
CAS No:566-44-9
MF:C27H44O
MW:384.637668609619
CID:890203
PubChem ID:11783955
Update Time:2025-04-19
1,(5-ALPHA)-CHOLESTEN-3-ONE Chemical and Physical Properties
Names and Identifiers
-
- 1,(5-ALPHA)-CHOLESTEN-3-ONE
- 1,(5-α)-CHOLESTEN-3-ONE
- cholestane-1-one
-
- Inchi： 1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1
- InChI Key： IIPHPVVRBVBREZ-UXIWKSIVSA-N
- SMILES： O=C1C=C[C@@]2(C)[C@H](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: 384.33900
- Monoisotopic Mass: 384.339216023g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 618
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 7.45280
1,(5-ALPHA)-CHOLESTEN-3-ONE Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Cholesterols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholesterols and derivatives
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