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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24Cl3FO4
Molecular Weight 465.77
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 21-CHLORO-FLUCLOROLONE

SMILES

[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](Cl)[C@@]3(Cl)[C@@]2([H])C[C@H](F)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=JBZJBOVZLIZBGT-OTJLYDAYSA-N
InChI=1S/C21H24Cl3FO4/c1-18-4-3-10(26)5-13(18)14(25)6-12-11-7-16(27)21(29,17(28)9-22)19(11,2)8-15(23)20(12,18)24/h3-5,11-12,14-16,27,29H,6-9H2,1-2H3/t11-,12-,14-,15-,16+,18-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H24Cl3FO4
Molecular Weight 465.77
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 Sat Dec 16 18:11:11 GMT 2023
Edited
by admin
on Sat Dec 16 18:11:11 GMT 2023
Record UNII
YR3IYH2QL2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
21-CHLORO-FLUCLOROLONE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9,11,21-TRICHLORO-6-FLUORO-16,17-DIHYDROXY-, (6.ALPHA.,11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
YR3IYH2QL2
Created by admin on Sat Dec 16 18:11:11 GMT 2023 , Edited by admin on Sat Dec 16 18:11:11 GMT 2023
PRIMARY
PUBCHEM
137552088
Created by admin on Sat Dec 16 18:11:11 GMT 2023 , Edited by admin on Sat Dec 16 18:11:11 GMT 2023
PRIMARY
CAS
36013-76-0
Created by admin on Sat Dec 16 18:11:11 GMT 2023 , Edited by admin on Sat Dec 16 18:11:11 GMT 2023
PRIMARY