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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H29Cl2FO5
Molecular Weight 487.388
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-dichloro-6-fluoro-17-hydroxy-16-methyl-, (6?,11?,16?)-

SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O

InChI

InChIKey=YPCAPEPPNDJUIE-OSNGSNEUSA-N
InChI=1S/C24H29Cl2FO5/c1-12-7-15-16-9-18(27)17-8-14(29)5-6-21(17,3)23(16,26)19(25)10-22(15,4)24(12,31)20(30)11-32-13(2)28/h5-6,8,12,15-16,18-19,31H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21+,22+,23+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H29Cl2FO5
Molecular Weight 487.388
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:48:03 GMT 2025
Edited
by admin
on Wed Apr 02 08:48:03 GMT 2025
Record UNII
XRK4NLC8NR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pregna-1,4-diene-3,20-dione, 9,11?-dichloro-6?-fluoro-17,21-dihydroxy-16?-methyl-, 21-acetate
Preferred Name English
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-dichloro-6-fluoro-17-hydroxy-16-methyl-, (6?,11?,16?)-
Systematic Name English
Code System Code Type Description
FDA UNII
XRK4NLC8NR
Created by admin on Wed Apr 02 08:48:03 GMT 2025 , Edited by admin on Wed Apr 02 08:48:03 GMT 2025
PRIMARY
CAS
3713-09-5
Created by admin on Wed Apr 02 08:48:03 GMT 2025 , Edited by admin on Wed Apr 02 08:48:03 GMT 2025
PRIMARY
PUBCHEM
22808999
Created by admin on Wed Apr 02 08:48:03 GMT 2025 , Edited by admin on Wed Apr 02 08:48:03 GMT 2025
PRIMARY