Cas no 133083-42-8 (Estr-4-en-3-one,17-(fluoro-18F-methyl)-17-hydroxy-7-methyl-, (7a,17b)- (9CI))
133083-42-8 structure
Product Name:Estr-4-en-3-one,17-(fluoro-18F-methyl)-17-hydroxy-7-methyl-, (7a,17b)- (9CI)
CAS No:133083-42-8
MF:C20H29FO2
MW:319.444004774094
CID:148256
PubChem ID:124254
Update Time:2025-04-19
Estr-4-en-3-one,17-(fluoro-18F-methyl)-17-hydroxy-7-methyl-, (7a,17b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Estr-4-en-3-one,17-(fluoro-18F-methyl)-17-hydroxy-7-methyl-, (7a,17b)- (9CI)
- (7R,8R,9S,10R,13S,14S,17S)-17-(fluoranylmethyl)-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
- 20-fluoromibolerone
- (7alpha,17beta)-17-[(~18~F)fluoromethyl]-17-hydroxy-7-methylestr-4-en-3-one
- Estr-4-en-3-one, 17-(fluoro-18F-methyl)-17-hydroxy-7-methyl-, (7alpha,17beta)-
- F-Mib
- DTXSID60927926
- (7R,8R,9S,10R,13S,14S,17S)-17-((18F)fluoranylmethyl)-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
- 133083-42-8
- 17-[(~18~F)Fluoromethyl]-17-hydroxy-7-methylestr-4-en-3-one
-
- Inchi： 1S/C20H29FO2/c1-12-9-13-10-14(22)3-4-15(13)16-5-7-19(2)17(18(12)16)6-8-20(19,23)11-21/h10,12,15-18,23H,3-9,11H2,1-2H3/t12-,15+,16-,17+,18-,19+,20-/m1/s1/i21-1
- InChI Key： RIUMYCCCNLGPAG-OYXLNOHGSA-N
- SMILES： [18F]C[C@@]1(CC[C@H]2[C@@H]3[C@H](C)CC4=CC(CC[C@@H]4[C@H]3CC[C@@]21C)=O)O
Computed Properties
- Exact Mass: 319.217692g/mol
- Monoisotopic Mass: 319.217692g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 556
- 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: 3.2
- Topological Polar Surface Area: 37.3?2
Estr-4-en-3-one,17-(fluoro-18F-methyl)-17-hydroxy-7-methyl-, (7a,17b)- (9CI) Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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