Cas no 23961-22-0 (Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-2-chloro-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6a,11b,16a)-)
23961-22-0 structure
Product Name:Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-2-chloro-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6a,11b,16a)-
CAS No:23961-22-0
MF:C24H29ClF2O6
MW:486.933274030685
CID:255192
PubChem ID:21116681
Update Time:2025-04-19
Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-2-chloro-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6a,11b,16a)- Chemical and Physical Properties
Names and Identifiers
-
- Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-2-chloro-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6a,11b,16a)-
- [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-2-chloro-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- 2-chloro-6,9-difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate
- 2-Chloro-6alpha,9-difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate
- 23961-22-0
- DTXSID60178673
- EINECS 245-955-6
- NS00050936
-
- Inchi： 1S/C24H29ClF2O6/c1-11-5-13-14-6-17(26)15-7-18(29)16(25)8-21(15,3)23(14,27)19(30)9-22(13,4)24(11,32)20(31)10-33-12(2)28/h7-8,11,13-14,17,19,30,32H,5-6,9-10H2,1-4H3/t11-,13+,14+,17+,19+,21+,22+,23+,24+/m1/s1
- InChI Key： RHQJBSYFEXTDNK-JKGZCGFNSA-N
- SMILES： ClC1C(C=C2[C@H](C[C@@H]3[C@@]([C@]2(C=1)C)([C@H](C[C@]1(C)[C@@](C(COC(C)=O)=O)([C@H](C)C[C@H]13)O)O)F)F)=O
Computed Properties
- Exact Mass: 486.162073
- Monoisotopic Mass: 486.162073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 33
- Rotatable Bond Count: 4
- Complexity: 995
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 101
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
Experimental Properties
- Density: 1.38
- Boiling Point: 610.3°Cat760mmHg
- Flash Point: 322.9°C
- Refractive Index: 1.566
Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-2-chloro-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6a,11b,16a)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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