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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H29F3O5
Molecular Weight 454.4793
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.ALPHA.,9.ALPHA.,21-TRIFLUORO-11.BETA.,16.ALPHA.,17.ALPHA.-TRIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE-16,17-ACETONIDE

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CF

InChI

InChIKey=PXWUOJMYFFZCJG-VSXGLTOVSA-N
InChI=1S/C24H29F3O5/c1-20(2)31-19-9-13-14-8-16(26)15-7-12(28)5-6-21(15,3)23(14,27)17(29)10-22(13,4)24(19,32-20)18(30)11-25/h5-7,13-14,16-17,19,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H29F3O5
Molecular Weight 454.4793
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 Fri Dec 15 14:59:10 GMT 2023
Edited
by admin
on Fri Dec 15 14:59:10 GMT 2023
Record UNII
8529AD2CVK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.ALPHA.,9.ALPHA.,21-TRIFLUORO-11.BETA.,16.ALPHA.,17.ALPHA.-TRIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE-16,17-ACETONIDE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 6,9,21-TRIFLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (6.ALPHA.,11.BETA.,16.ALPHA.)-
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 6.ALPHA.,9,21-TRIFLUORO-11.BETA.,16.ALPHA.,17-TRIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE
Common Name English
Code System Code Type Description
PUBCHEM
133082461
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
FDA UNII
8529AD2CVK
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
CAS
1546-41-4
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY