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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H34ClFO7
Molecular Weight 512.995
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.BETA.-CHLORO-9.ALPHA.-FLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXYPREGN-4-ENE-3,20-DIONE-21-ACETATE 16,17-ACETONIDE

SMILES

CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4C[C@@H](Cl)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C

InChI

InChIKey=PELLWZQZIYBXGD-CCGQCGMPSA-N
InChI=1S/C26H34ClFO7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h8,15-16,18-19,21,31H,6-7,9-12H2,1-5H3/t15-,16-,18+,19-,21+,23-,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H34ClFO7
Molecular Weight 512.995
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 Mon Mar 31 18:09:37 GMT 2025
Edited
by admin
on Mon Mar 31 18:09:37 GMT 2025
Record UNII
7PR0X4O9YJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.BETA.-CHLORO-9.ALPHA.-FLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXYPREGN-4-ENE-3,20-DIONE-21-ACETATE 16,17-ACETONIDE
Systematic Name English
6.BETA.-CHLORO-9-FLUORO-11.BETA.,21-DIHYDROXY-2',2'-DIMETHYL-16.ALPHA.,17-DIOXOLO-4-PREGNENE-3,20-DIONE-21-ACETATE
Preferred Name English
CORTICOSTERONE, 6.BETA.-CHLORO-9-FLUORO-16.ALPHA.,17-DIHYDROXY-, 21-ACETATE, CYCLIC 16,17-ACETAL WITH ACETONE
Systematic Name English
PREGN-4-ENE-3,20-DIONE, 6.BETA.-CHLORO-9-FLUORO-11,16.ALPHA.,17,21-TETRAHYDROXY-
Systematic Name English
Code System Code Type Description
CAS
4018-07-9
Created by admin on Mon Mar 31 18:09:37 GMT 2025 , Edited by admin on Mon Mar 31 18:09:37 GMT 2025
PRIMARY
PUBCHEM
155929105
Created by admin on Mon Mar 31 18:09:37 GMT 2025 , Edited by admin on Mon Mar 31 18:09:37 GMT 2025
PRIMARY
FDA UNII
7PR0X4O9YJ
Created by admin on Mon Mar 31 18:09:37 GMT 2025 , Edited by admin on Mon Mar 31 18:09:37 GMT 2025
PRIMARY