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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H36ClFO6
Molecular Weight 499.012
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

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

SMILES

[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]4(F)[C@@]2([H])CCC5=C[C@H](CC[C@]45C)OC(C)=O

InChI

InChIKey=ARRTUKQQKWPILK-YDXBQFKCSA-N
InChI=1S/C26H36ClFO6/c1-14(29)32-16-8-9-23(4)15(10-16)6-7-17-18-11-21-26(20(31)13-27,34-22(2,3)33-21)24(18,5)12-19(30)25(17,23)28/h10,16-19,21,30H,6-9,11-13H2,1-5H3/t16-,17-,18-,19-,21+,23-,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H36ClFO6
Molecular Weight 499.012
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 05:26:14 GMT 2023
Edited
by admin
on Sat Dec 16 05:26:14 GMT 2023
Record UNII
0C0P8M92CI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
21-CHLORO-9-FLUORO-3.BETA.,11.BETA.,16.ALPHA.,17-TETRAHYDROXYPREGN-4-EN-20-ONE-16,17-ACETONIDE-3-ACETATE
Common Name English
PREGN-4-EN-20-ONE, 3-(ACETYLOXY)-21-CHLORO-9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (3.BETA.,11.BETA.,16.ALPHA.)-
Common Name English
Code System Code Type Description
CAS
60646-27-7
Created by admin on Sat Dec 16 05:26:14 GMT 2023 , Edited by admin on Sat Dec 16 05:26:14 GMT 2023
PRIMARY
PUBCHEM
91810530
Created by admin on Sat Dec 16 05:26:14 GMT 2023 , Edited by admin on Sat Dec 16 05:26:14 GMT 2023
PRIMARY
FDA UNII
0C0P8M92CI
Created by admin on Sat Dec 16 05:26:14 GMT 2023 , Edited by admin on Sat Dec 16 05:26:14 GMT 2023
PRIMARY