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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H26O4
Molecular Weight 342.4287
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEOXYPREDNISOLONE-16-ENE

SMILES

[H][C@@]12CC=C(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=AXIAZKUMDZKRSI-SCVOTXIRSA-N
InChI=1S/C21H26O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h6-9,14-15,17,19,22,24H,3-5,10-11H2,1-2H3/t14-,15-,17-,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H26O4
Molecular Weight 342.4287
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:21:58 UTC 2023
Edited
by admin
on Sat Dec 16 18:21:58 UTC 2023
Record UNII
690A9G75VL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEOXYPREDNISOLONE-16-ENE
Common Name English
11.BETA.,21-DIHYDROXYPREGNA-1,4,16-TRIENE-3,20-DIONE
Systematic Name English
DEOXYPREDNISOLONE-16-ENE [USP IMPURITY]
Common Name English
(11.BETA.)-11,21-DIHYDROXYPREGNA-1,4,16-TRIENE-3,20-DIONE
Systematic Name English
PREGNA-1,4,16-TRIENE-3,20-DIONE, 11,21-DIHYDROXY-, (11.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
690A9G75VL
Created by admin on Sat Dec 16 18:21:58 UTC 2023 , Edited by admin on Sat Dec 16 18:21:58 UTC 2023
PRIMARY
CAS
3103-17-1
Created by admin on Sat Dec 16 18:21:58 UTC 2023 , Edited by admin on Sat Dec 16 18:21:58 UTC 2023
PRIMARY
PUBCHEM
14233399
Created by admin on Sat Dec 16 18:21:58 UTC 2023 , Edited by admin on Sat Dec 16 18:21:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP