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Details

Stereochemistry EPIMERIC
Molecular Formula C26H34F2O7S
Molecular Weight 528.606
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,6-DIFLUORO-11,17-DIHYDROXY-16-METHYL-21-(3-(METHYLSULFINYL)-1-OXOPROPOXY)-PREGNA-1,4-DIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

SMILES

C[C@@H]1C[C@H]2[C@@H]3CC(F)(F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CC[S+](C)[O-]

InChI

InChIKey=YKDURBMVIXHCBC-INXSOENXSA-N
InChI=1S/C26H34F2O7S/c1-14-9-17-16-11-25(27,28)19-10-15(29)5-7-23(19,2)22(16)18(30)12-24(17,3)26(14,33)20(31)13-35-21(32)6-8-36(4)34/h5,7,10,14,16-18,22,30,33H,6,8-9,11-13H2,1-4H3/t14-,16+,17+,18+,22-,23+,24+,26+,36?/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H34F2O7S
Molecular Weight 528.606
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 23:16:53 GMT 2025
Edited
by admin
on Mon Mar 31 23:16:53 GMT 2025
Record UNII
B6238JC34W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6,6-DIFLUORO-11,17-DIHYDROXY-16-METHYL-21-(3-(METHYLSULFINYL)-1-OXOPROPOXY)-PREGNA-1,4-DIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 6,6-DIFLUORO-11,17-DIHYDROXY-16-METHYL-21-(3-(METHYLSULFINYL)-1-OXOPROPOXY)-, (11.BETA.,16.ALPHA.)-
Preferred Name English
Code System Code Type Description
CAS
37695-39-9
Created by admin on Mon Mar 31 23:16:53 GMT 2025 , Edited by admin on Mon Mar 31 23:16:53 GMT 2025
PRIMARY
FDA UNII
B6238JC34W
Created by admin on Mon Mar 31 23:16:53 GMT 2025 , Edited by admin on Mon Mar 31 23:16:53 GMT 2025
PRIMARY
PUBCHEM
119057586
Created by admin on Mon Mar 31 23:16:53 GMT 2025 , Edited by admin on Mon Mar 31 23:16:53 GMT 2025
PRIMARY