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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27FO5
Molecular Weight 390.4452
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al, (11?,16?)-

SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)C=O

InChI

InChIKey=RWXGMZVMPITTKC-CXSFZGCWSA-N
InChI=1S/C22H27FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,11-12,15-17,26,28H,4-5,8,10H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H27FO5
Molecular Weight 390.4452
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:30:32 GMT 2025
Edited
by admin
on Wed Apr 02 17:30:32 GMT 2025
Record UNII
RT3MAJ5J6W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al, (11?,16?)-
Systematic Name English
(11?,16?)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al
Preferred Name English
Pregna-1,4-dien-21-al, 9-fluoro-11?,17-dihydroxy-16?-methyl-3,20-dioxo-
Systematic Name English
9-Fluoro-11?,17-dihydroxy-16?-methyl-3,20-dioxopregna-1,4-dien-21-al
Systematic Name English
Pregna-1,4-dien-21-al, 9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxo-, (11?,16?)-
Systematic Name English
Code System Code Type Description
CAS
2964-79-6
Created by admin on Wed Apr 02 17:30:32 GMT 2025 , Edited by admin on Wed Apr 02 17:30:32 GMT 2025
PRIMARY
PUBCHEM
23250104
Created by admin on Wed Apr 02 17:30:32 GMT 2025 , Edited by admin on Wed Apr 02 17:30:32 GMT 2025
PRIMARY
FDA UNII
RT3MAJ5J6W
Created by admin on Wed Apr 02 17:30:32 GMT 2025 , Edited by admin on Wed Apr 02 17:30:32 GMT 2025
PRIMARY