Cas no 1474-59-5 (Pregn-4-ene-3,20-dione,6a-fluoro-11a-hydroxy- (7CI,8CI))
1474-59-5 structure
Product Name:Pregn-4-ene-3,20-dione,6a-fluoro-11a-hydroxy- (7CI,8CI)
CAS No:1474-59-5
MF:C21H29FO3
MW:348.451570272446
CID:232174
PubChem ID:254120
Update Time:2025-04-19
Pregn-4-ene-3,20-dione,6a-fluoro-11a-hydroxy- (7CI,8CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,20-dione,6a-fluoro-11a-hydroxy- (7CI,8CI)
- 17-acetyl-6-fluoro-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- 1474-59-5
- 6-fluoro-11-hydroxypregn-4-ene-3,20-dione
- DTXSID50933117
- NSC77899
- NSC-77899
-
- Inchi： 1S/C21H29FO3/c1-11(23)14-4-5-15-13-9-17(22)16-8-12(24)6-7-20(16,2)19(13)18(25)10-21(14,15)3/h8,13-15,17-19,25H,4-7,9-10H2,1-3H3/t13-,14+,15-,17-,18+,19+,20-,21+/m0/s1
- InChI Key： WKLSIBAACVYLOP-PXMIYXPUSA-N
- SMILES： F[C@@H]1C2=CC(CC[C@]2(C)[C@H]2[C@@H](C[C@]3(C)[C@@H](C(C)=O)CC[C@H]3[C@@H]2C1)O)=O
Computed Properties
- Exact Mass: 348.21017
- Monoisotopic Mass: 348.21007294g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 1
- Complexity: 656
- 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: 2.1
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
- LogP: 3.64230
Pregn-4-ene-3,20-dione,6a-fluoro-11a-hydroxy- (7CI,8CI) Related Literature
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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