Cas no 1053-58-3 (Pregn-4-ene-3,20-dione,6-fluoro-11,17,21-trihydroxy-, (6a,11b)-)
1053-58-3 structure
Product Name:Pregn-4-ene-3,20-dione,6-fluoro-11,17,21-trihydroxy-, (6a,11b)-
CAS No:1053-58-3
MF:C21H29FO5
MW:380.450370550156
CID:176631
PubChem ID:247939
Update Time:2025-04-19
Pregn-4-ene-3,20-dione,6-fluoro-11,17,21-trihydroxy-, (6a,11b)- Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,20-dione,6-fluoro-11,17,21-trihydroxy-, (6a,11b)-
- 6-alpha-Fluorhydrocortisone
- 6-α-Fluorhydrocortisone
- 6-a-Fluor-Hydrocortisone
- Pregn-4-ene-3, 6-fluoro-11,17,21-trihydroxy-, (6.alpha.,11.beta.)-
- NSC-63560
- NSC63560
- MLS002693442
- 6I+/--Fluorocortisol
- Pregn-4-ene-3, 6.alpha.-fluoro-11.beta.,17,21-trihydroxy-
- SCHEMBL10598481
- (6S,8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
- 1053-58-3
- 6.alpha.-Fluorocortisol
- 6.alpha.-Fluorohydrocortisone
-
- Inchi： 1S/C21H29FO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,23,25,27H,3-6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1
- InChI Key： MEZCUMCMVYZPAH-HVIRSNARSA-N
- SMILES： F[C@@H]1C2=CC(CC[C@]2(C)[C@H]2[C@H](C[C@]3(C)[C@@](C(CO)=O)(CC[C@H]3[C@@H]2C1)O)O)=O
Computed Properties
- Exact Mass: 380.20000
- Monoisotopic Mass: 380.19990218g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 2
- Complexity: 719
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 94.8?2
Experimental Properties
- PSA: 94.83000
- LogP: 1.72960
Pregn-4-ene-3,20-dione,6-fluoro-11,17,21-trihydroxy-, (6a,11b)- Related Literature
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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