Cas no 336-45-8 (Pregn-4-ene-3,20-dione,9-fluoro-11,21-dihydroxy-, (11b)- (9CI))
336-45-8 structure
Product Name:Pregn-4-ene-3,20-dione,9-fluoro-11,21-dihydroxy-, (11b)- (9CI)
CAS No:336-45-8
MF:C21H29FO4
MW:364.450970411301
CID:311980
PubChem ID:3081940
Update Time:2025-04-19
Pregn-4-ene-3,20-dione,9-fluoro-11,21-dihydroxy-, (11b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,20-dione,9-fluoro-11,21-dihydroxy-, (11b)- (9CI)
- (8S,10S,11S,13S,14S,17S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
- 9alpha-Fluorocorticosterone
- DTXSID70955230
- 336-45-8
- 9-Fluoro-11,21-dihydroxypregn-4-ene-3,20-dione
- Pregn-4-ene-3,20-dione, 9-fluoro-11,21-dihydroxy-, (11beta)-
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- Inchi： 1S/C21H29FO4/c1-19-10-18(26)21(22)15(14(19)5-6-16(19)17(25)11-23)4-3-12-9-13(24)7-8-20(12,21)2/h9,14-16,18,23,26H,3-8,10-11H2,1-2H3/t14-,15-,16+,18-,19-,20-,21?/m0/s1
- InChI Key： VKNOLWUDFZODKY-NGGQNULTSA-N
- SMILES： FC12[C@H](C[C@]3(C)[C@@H](C(CO)=O)CC[C@H]3[C@@H]1CCC1=CC(CC[C@]21C)=O)O
Computed Properties
- Exact Mass: 364.20500
- Monoisotopic Mass: 364.20498756g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 2
- Complexity: 688
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.60000
- LogP: 2.75880
Pregn-4-ene-3,20-dione,9-fluoro-11,21-dihydroxy-, (11b)- (9CI) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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