Cas no 82154-74-3 (9-fluoro-16-methyl-6,11,16-trihydroxy-1,4-androstadiene-3,17-dione)
82154-74-3 structure
Product Name:9-fluoro-16-methyl-6,11,16-trihydroxy-1,4-androstadiene-3,17-dione
CAS No:82154-74-3
MF:C20H25FO5
MW:364.407910108566
CID:987479
PubChem ID:133844
Update Time:2025-04-20
9-fluoro-16-methyl-6,11,16-trihydroxy-1,4-androstadiene-3,17-dione Chemical and Physical Properties
Names and Identifiers
-
- 9-fluoro-16-methyl-6,11,16-trihydroxy-1,4-androstadiene-3,17-dione
- DTXSID301002507
- (6R,8S,10S,11S,13S,14S,16R)-9-fluoro-6,11,16-trihydroxy-10,13,16-trimethyl-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
- 82154-74-3
- 9-Fluoro-6,11,16-trihydroxy-16-methylandrosta-1,4-diene-3,17-dione
-
- Inchi： 1S/C20H25FO5/c1-17-9-15(24)20(21)11(13(17)8-19(3,26)16(17)25)7-14(23)12-6-10(22)4-5-18(12,20)2/h4-6,11,13-15,23-24,26H,7-9H2,1-3H3/t11-,13-,14+,15-,17-,18-,19+,20?/m0/s1
- InChI Key： VQXKHRGTKIHETG-SMKHJERPSA-N
- SMILES： FC12[C@]3(C=CC(C=C3[C@@H](C[C@H]1[C@@H]1C[C@](C)(C([C@@]1(C)C[C@@H]2O)=O)O)O)=O)C
Computed Properties
- Exact Mass: 364.16860206g/mol
- Monoisotopic Mass: 364.16860206g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 0
- Complexity: 774
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 94.8?2
9-fluoro-16-methyl-6,11,16-trihydroxy-1,4-androstadiene-3,17-dione Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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