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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H27FO6
Molecular Weight 418.4553
Optical Activity ( + )
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6α,9β,11β)-21-(Acetyloxy)-9,11-epoxy-6-fluoro-17-hydroxypregna-1,4-diene-3,20-dione

SMILES

[H][C@]12C[C@@]3(C)[C@@]([H])(CC[C@]3(O)C(=O)COC(C)=O)[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@]14O2

InChI

InChIKey=PUJVPNOULZFOLX-GDLPWGFUSA-N
InChI=1S/C23H27FO6/c1-12(25)29-11-18(27)22(28)7-5-14-15-9-17(24)16-8-13(26)4-6-20(16,2)23(15)19(30-23)10-21(14,22)3/h4,6,8,14-15,17,19,28H,5,7,9-11H2,1-3H3/t14-,15-,17-,19-,20-,21-,22-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H27FO6
Molecular Weight 418.4553
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 Sat Dec 16 19:20:48 GMT 2023
Edited
by admin
on Sat Dec 16 19:20:48 GMT 2023
Record UNII
S9KJT6KD88
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6α,9β,11β)-21-(Acetyloxy)-9,11-epoxy-6-fluoro-17-hydroxypregna-1,4-diene-3,20-dione
Systematic Name English
9β-Pregna-1,4-diene-3,20-dione, 9,11β-epoxy-6α-fluoro-17,21-dihydroxy-, 21-acetate
Systematic Name English
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-6-fluoro-17-hydroxy-, (6α,9β,11β)-
Systematic Name English
Code System Code Type Description
FDA UNII
S9KJT6KD88
Created by admin on Sat Dec 16 19:20:48 GMT 2023 , Edited by admin on Sat Dec 16 19:20:48 GMT 2023
PRIMARY
PUBCHEM
88759953
Created by admin on Sat Dec 16 19:20:48 GMT 2023 , Edited by admin on Sat Dec 16 19:20:48 GMT 2023
PRIMARY
CAS
3802-45-7
Created by admin on Sat Dec 16 19:20:48 GMT 2023 , Edited by admin on Sat Dec 16 19:20:48 GMT 2023
PRIMARY