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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31FO5S
Molecular Weight 450.563
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-FLUORO-11-HYDROXY-21-MERCAPTO-16,17-((1-METHYLETHYLIDENE)BIS(OXY))PREGNA-1,4-DIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

SMILES

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

InChI

InChIKey=QPAZVAZLHUHQKU-JNQJZLCISA-N
InChI=1S/C24H31FO5S/c1-20(2)29-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,30-20)18(28)12-31/h7-9,15-17,19,27,31H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H31FO5S
Molecular Weight 450.563
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 Mon Mar 31 21:38:03 GMT 2025
Edited
by admin
on Mon Mar 31 21:38:03 GMT 2025
Record UNII
2NGE3G5L4W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SQ-21241
Preferred Name English
9-FLUORO-11-HYDROXY-21-MERCAPTO-16,17-((1-METHYLETHYLIDENE)BIS(OXY))PREGNA-1,4-DIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11-HYDROXY-21-MERCAPTO-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
91618056
Created by admin on Mon Mar 31 21:38:03 GMT 2025 , Edited by admin on Mon Mar 31 21:38:03 GMT 2025
PRIMARY
FDA UNII
2NGE3G5L4W
Created by admin on Mon Mar 31 21:38:03 GMT 2025 , Edited by admin on Mon Mar 31 21:38:03 GMT 2025
PRIMARY
CAS
52343-07-4
Created by admin on Mon Mar 31 21:38:03 GMT 2025 , Edited by admin on Mon Mar 31 21:38:03 GMT 2025
PRIMARY