U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29FO4
Molecular Weight 376.4617
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.ALPHA.-METHYL-11.BETA.,17.ALPHA.-DIHYDROXY-21-FLUOROPREGNA-1,4-DIENE-3,20-DIONE

SMILES

[H][C@@]12CC[C@](O)(C(=O)CF)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])C[C@H](C)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=VEYPPXXPHUXOLG-PJHHCJLFSA-N
InChI=1S/C22H29FO4/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H29FO4
Molecular Weight 376.4617
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 Sat Dec 16 08:24:58 GMT 2023
Edited
by admin
on Sat Dec 16 08:24:58 GMT 2023
Record UNII
LIC1705YTJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.ALPHA.-METHYL-11.BETA.,17.ALPHA.-DIHYDROXY-21-FLUOROPREGNA-1,4-DIENE-3,20-DIONE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE,21-FLUORO-11.BETA.,17-DIHYDROXY-6.ALPHA.-METHYL-
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 21-FLUORO-11,17-DIHYDROXY-6-METHYL-, (6.ALPHA.,11.BETA.)-
Systematic Name English
NSC-19623
Code English
Code System Code Type Description
PUBCHEM
227677
Created by admin on Sat Dec 16 08:24:58 GMT 2023 , Edited by admin on Sat Dec 16 08:24:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID101143519
Created by admin on Sat Dec 16 08:24:58 GMT 2023 , Edited by admin on Sat Dec 16 08:24:58 GMT 2023
PRIMARY
NSC
19623
Created by admin on Sat Dec 16 08:24:58 GMT 2023 , Edited by admin on Sat Dec 16 08:24:58 GMT 2023
PRIMARY
CAS
437-99-0
Created by admin on Sat Dec 16 08:24:58 GMT 2023 , Edited by admin on Sat Dec 16 08:24:58 GMT 2023
PRIMARY
FDA UNII
LIC1705YTJ
Created by admin on Sat Dec 16 08:24:58 GMT 2023 , Edited by admin on Sat Dec 16 08:24:58 GMT 2023
PRIMARY