Cas no 61618-89-1 ((6α,9β,11β,16α)-9,11-Epoxy-6-fluoro-21-hydroxy-16-methyl-pregna-1,4-diene-3,20-dione)
61618-89-1 structure
Product Name:(6α,9β,11β,16α)-9,11-Epoxy-6-fluoro-21-hydroxy-16-methyl-pregna-1,4-diene-3,20-dione
CAS No:61618-89-1
MF:C22H27FO4
MW:374.445790529251
CID:1062167
PubChem ID:71316379
Update Time:2025-04-20
(6α,9β,11β,16α)-9,11-Epoxy-6-fluoro-21-hydroxy-16-methyl-pregna-1,4-diene-3,20-dione Chemical and Physical Properties
Names and Identifiers
-
- (6α,9β,11β,16α)-9,11-Epoxy-6-fluoro-21-hydroxy-16-methyl-pregna-1,4-diene-3,20-dione
- (6A,9B,11B,16A)-9,11-EPOXY-6-FLUORO-21-HYDROXY-16-METHYL-PREGNA-1,4-DIENE-3,20-DIONE
- A,11
- A,16
- A,9
- (6alpha,9beta,11beta,16alpha)-9,11-Epoxy-6-fluoro-21-hydroxy-16-methyl-pregna-1,4-diene-3,20-dione
- (1S,2S,8S,11S,13R,14S,15S,17S)-8-Fluoro-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
- (6alpha,8xi,9beta,11beta,16alpha)-6-Fluoro-21-hydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione
- DTXSID00747706
- 61618-89-1
-
- Inchi： 1S/C22H27FO4/c1-11-6-13-14-8-16(23)15-7-12(25)4-5-21(15,3)22(14)18(27-22)9-20(13,2)19(11)17(26)10-24/h4-5,7,11,13-14,16,18-19,24H,6,8-10H2,1-3H3/t11-,13+,14?,16+,18+,19-,20+,21+,22-/m1/s1
- InChI Key： WCXRTQTYUQWMME-CKNSNADWSA-N
- SMILES： F[C@@H]1C2=CC(C=C[C@]2(C)[C@]23[C@H](C[C@]4(C)[C@@H](C(CO)=O)[C@H](C)C[C@H]4C2C1)O3)=O
Computed Properties
- Exact Mass: 374.18900
- Monoisotopic Mass: 374.18933750g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 2
- Complexity: 802
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 66.9?2
Experimental Properties
- PSA: 66.90000
- LogP: 2.79720
(6α,9β,11β,16α)-9,11-Epoxy-6-fluoro-21-hydroxy-16-methyl-pregna-1,4-diene-3,20-dione Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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