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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H32FNO6
Molecular Weight 461.5231
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2.ALPHA.-CYANO-9.ALPHA.-FLUORO-11.BETA.,21-DIHYDROXY-16.ALPHA.,17.ALPHA.-ISOPROPYLIDENEDIOXY-4-PREGNENE-3,20-DIONE

SMILES

CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)[C@@H](C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)C#N

InChI

InChIKey=AIAJLKNDTJUXSZ-ANZMVBQXSA-N
InChI=1S/C25H32FNO6/c1-21(2)32-20-8-16-15-6-5-14-7-17(29)13(11-27)9-22(14,3)24(15,26)18(30)10-23(16,4)25(20,33-21)19(31)12-28/h7,13,15-16,18,20,28,30H,5-6,8-10,12H2,1-4H3/t13-,15-,16-,18-,20+,22-,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H32FNO6
Molecular Weight 461.5231
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 17:57:02 GMT 2025
Edited
by admin
on Mon Mar 31 17:57:02 GMT 2025
Record UNII
4Z8NMP11S3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2.ALPHA.-CYANO-9.ALPHA.-FLUORO-11.BETA.,21-DIHYDROXY-16.ALPHA.,17.ALPHA.-ISOPROPYLIDENEDIOXY-4-PREGNENE-3,20-DIONE
Common Name English
PREGN-4-ENE-2-CARBONITRILE, 9-FLUORO-11,21-DIHYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-3,20-DIOXO-, (2.ALPHA.,11.BETA.,16.ALPHA.)-
Preferred Name English
PREGN-4-ENE-2.ALPHA.-CARBONITRILE, 9-FLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-3,20-DIOXO-, CYCLIC 16,17-ACETAL WITH ACETONE
Systematic Name English
Code System Code Type Description
CAS
2839-33-0
Created by admin on Mon Mar 31 17:57:02 GMT 2025 , Edited by admin on Mon Mar 31 17:57:02 GMT 2025
PRIMARY
PUBCHEM
91810498
Created by admin on Mon Mar 31 17:57:02 GMT 2025 , Edited by admin on Mon Mar 31 17:57:02 GMT 2025
PRIMARY
FDA UNII
4Z8NMP11S3
Created by admin on Mon Mar 31 17:57:02 GMT 2025 , Edited by admin on Mon Mar 31 17:57:02 GMT 2025
PRIMARY