Cas no 105384-40-5 (Pregna-4,9(11)-diene-3,20-dione,6-fluoro-17,21-dihydroxy-16-methyl-, (6a,16b)- (9CI))
105384-40-5 structure
Product Name:Pregna-4,9(11)-diene-3,20-dione,6-fluoro-17,21-dihydroxy-16-methyl-, (6a,16b)- (9CI)
CAS No:105384-40-5
MF:C22H29FO4
MW:376.461670637131
CID:170401
PubChem ID:135394
Update Time:2025-04-19
Pregna-4,9(11)-diene-3,20-dione,6-fluoro-17,21-dihydroxy-16-methyl-, (6a,16b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Pregna-4,9(11)-diene-3,20-dione,6-fluoro-17,21-dihydroxy-16-methyl-, (6a,16b)- (9CI)
- (6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
- 6alpha-Fluoro-17,21-dihydroxy-16beta-methylpregna-4,9(11)-diene-3,20-dione
- 6alpha-Fluoro-17,21-dihydroxy-16beta-methyl-pregna-4,9(11)-diene-3,20-dione
- Pregna-4,9(11)-diene-3,20-dione, 6-fluoro-17,21-dihydroxy-16-methyl-, (6alpha,16beta)-
- DTXSID40909503
- 105384-40-5
- SCHEMBL3083179
- 6-Fluoro-17,21-dihydroxy-16-methylpregna-4,9(11)-diene-3,20-dione
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- Inchi： 1S/C22H29FO4/c1-12-8-16-14-10-18(23)17-9-13(25)4-6-20(17,2)15(14)5-7-21(16,3)22(12,27)19(26)11-24/h5,9,12,14,16,18,24,27H,4,6-8,10-11H2,1-3H3/t12-,14+,16-,18-,20+,21-,22-/m0/s1
- InChI Key： MUEOUHRWNRABSW-LCMQHTLGSA-N
- SMILES： F[C@@H]1C2=CC(CC[C@]2(C)C2=CC[C@]3(C)[C@@](C(CO)=O)([C@@H](C)C[C@H]3[C@@H]2C1)O)=O
Computed Properties
- Exact Mass: 376.20507
- Monoisotopic Mass: 376.20498756g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 2
- Complexity: 770
- 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: 2.2
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Pregna-4,9(11)-diene-3,20-dione,6-fluoro-17,21-dihydroxy-16-methyl-, (6a,16b)- (9CI) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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
105384-40-5 (Pregna-4,9(11)-diene-3,20-dione,6-fluoro-17,21-dihydroxy-16-methyl-, (6a,16b)- (9CI)) Related Products
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