Cas no 339-02-6 (Pregn-4-ene-3,20-dione,9-fluoro-11-hydroxy-, (11b)- (9CI))
339-02-6 structure
Product Name:Pregn-4-ene-3,20-dione,9-fluoro-11-hydroxy-, (11b)- (9CI)
CAS No:339-02-6
MF:C21H29FO3
MW:348.451570272446
CID:321890
PubChem ID:226014
Update Time:2025-04-19
Pregn-4-ene-3,20-dione,9-fluoro-11-hydroxy-, (11b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,20-dione,9-fluoro-11-hydroxy-, (11b)- (9CI)
- (8S,9R,10S,11S,13R,14S,17S)-17-acetyl-9-fluoro-11-hydroxy-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
- 11beta-Hydroxy-9alpha-fluoroprogesterone
- 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione
- MLS002638463
- Pregn-4-ene-3,20-dione, 9-alpha-fluoro-11-beta-hydroxy-
- NIOSH/TU5024100
- DTXSID20955487
- 339-02-6
- SCHEMBL11660982
- 9-Fluoro-11-hydroxypregn-4-ene-3,20-dione
- NSC17128
- NSC16008
- Q27148951
- CHEBI:79814
- (11beta)-9-fluoro-11-hydroxypregn-4-ene-3,20-dione
- NSC-16008
- NSC-17128
- 9-alpha-Fluoro-11-beta-hydroxypregn-4-ene-3,20-dione
- MLS000737822
- TU50241000
- CHEMBL3250363
- 9-alpha-Fluoro-11-beta-hydroxyprogesterone
-
- Inchi： 1S/C21H29FO3/c1-12(23)15-6-7-16-17-5-4-13-10-14(24)8-9-20(13,3)21(17,22)18(25)11-19(15,16)2/h10,15-18,25H,4-9,11H2,1-3H3/t15-,16+,17+,18+,19-,20+,21+/m1/s1
- InChI Key： JSGVCWDJNUVILL-VTZQMFNYSA-N
- SMILES： F[C@]12[C@H](C[C@]3(C)[C@@H](C(C)=O)CC[C@H]3[C@@H]1CCC1=CC(CC[C@]21C)=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: 670
- 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: 2.7
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Pregn-4-ene-3,20-dione,9-fluoro-11-hydroxy-, (11b)- (9CI) Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Gluco/mineralocorticoids, progestogins and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Gluco/mineralocorticoids, progestogins and derivatives
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