Cas no 28032-31-7 (Pregna-1,4-diene-3,20-dione,17-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-21-(phosphonooxy)-, (11b,16b)- (9CI))
28032-31-7 structure
Product Name:Pregna-1,4-diene-3,20-dione,17-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-21-(phosphonooxy)-, (11b,16b)- (9CI)
CAS No:28032-31-7
MF:C24H32FO9P
MW:514.477652549744
CID:288199
PubChem ID:56841055
Update Time:2025-04-19
Pregna-1,4-diene-3,20-dione,17-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-21-(phosphonooxy)-, (11b,16b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregna-1,4-diene-3,20-dione,17-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-21-(phosphonooxy)-, (11b,16b)- (9CI)
- [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-phosphonooxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate
- Betamethasone 17-acetate 21-(dihydrogen phosphate)
- 28032-31-7
- DTXSID20182312
-
- Inchi： 1S/C24H32FO9P/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,34-14(2)26)20(29)12-33-35(30,31)32/h7-8,10,13,17-19,28H,5-6,9,11-12H2,1-4H3,(H2,30,31,32)/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1
- InChI Key： LZQYVDLGJYEPOX-QZIXMDIESA-N
- SMILES： P(=O)(O)(O)OCC([C@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(C=C[C@]4(C)[C@]3([C@H](C[C@@]21C)O)F)=O)OC(C)=O)=O
Computed Properties
- Exact Mass: 514.17686
- Monoisotopic Mass: 514.176797
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 35
- Rotatable Bond Count: 6
- Complexity: 1080
- 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: 1
- Topological Polar Surface Area: 147
Experimental Properties
- Density: 1.41
- Boiling Point: 666.2°Cat760mmHg
- Flash Point: 356.7°C
- Refractive Index: 1.575
- PSA: 147.43
- LogP: 2.58350
Pregna-1,4-diene-3,20-dione,17-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-21-(phosphonooxy)-, (11b,16b)- (9CI) Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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