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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27FO4
Molecular Weight 374.4458
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 9-Fluoro-11β-hydroxy-16β-methyl-3-oxopregna-1,4,17(20)-trien-21-oic acid

SMILES

[H][C@@]12C[C@H](C)\C(=C/C(O)=O)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=FYDLRSCAKMBCGV-MFDZNXEESA-N
InChI=1S/C22H27FO4/c1-12-8-17-15-5-4-13-9-14(24)6-7-21(13,3)22(15,23)18(25)11-20(17,2)16(12)10-19(26)27/h6-7,9-10,12,15,17-18,25H,4-5,8,11H2,1-3H3,(H,26,27)/b16-10+/t12-,15-,17-,18-,20+,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H27FO4
Molecular Weight 374.4458
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:40:47 GMT 2023
Edited
by admin
on Sat Dec 16 15:40:47 GMT 2023
Record UNII
KKB7SIO8YQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-Fluoro-11β-hydroxy-16β-methyl-3-oxopregna-1,4,17(20)-trien-21-oic acid
Systematic Name English
CLOBETASOL PROPIONATE IMPURITY F [EP IMPURITY]
Common Name English
(11β,16β,17E)-9-Fluoro-11-hydroxy-16-methyl-3-oxopregna-1,4,17(20)-trien-21-oic acid
Systematic Name English
Code System Code Type Description
FDA UNII
KKB7SIO8YQ
Created by admin on Sat Dec 16 15:40:48 GMT 2023 , Edited by admin on Sat Dec 16 15:40:48 GMT 2023
PRIMARY
CAS
2412496-00-3
Created by admin on Sat Dec 16 15:40:48 GMT 2023 , Edited by admin on Sat Dec 16 15:40:48 GMT 2023
PRIMARY
PUBCHEM
145996803
Created by admin on Sat Dec 16 15:40:48 GMT 2023 , Edited by admin on Sat Dec 16 15:40:48 GMT 2023
PRIMARY
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