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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26O6
Molecular Weight 374.4283
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11-KETO-16.ALPHA.-HYDROXYPREDNISOLONE

SMILES

C[C@@]12C=CC(=O)C=C2CC[C@@]3([H])[C@]4([H])C[C@]([H])([C@](C(=O)CO)([C@@]4(C)CC(=O)[C@@]31[H])O)O

InChI

InChIKey=QUDYJOZZUZDXCV-QLONCABFSA-N
InChI=1S/C21H26O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-14,16,18,22,25,27H,3-4,8-10H2,1-2H3/t13-,14-,16+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H26O6
Molecular Weight 374.4283
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 04:39:36 UTC 2021
Edited
by admin
on Sat Jun 26 04:39:36 UTC 2021
Record UNII
9UUI9HUO3Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11-KETO-16.ALPHA.-HYDROXYPREDNISOLONE
Common Name English
PREGNA-1,4-DIENE-3,11,20-TRIONE, 16,17,21-TRIHYDROXY-, (16.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
9UUI9HUO3Q
Created by admin on Sat Jun 26 04:39:36 UTC 2021 , Edited by admin on Sat Jun 26 04:39:36 UTC 2021
PRIMARY
EPA CompTox
3754-05-0
Created by admin on Sat Jun 26 04:39:36 UTC 2021 , Edited by admin on Sat Jun 26 04:39:36 UTC 2021
PRIMARY
PUBCHEM
71752789
Created by admin on Sat Jun 26 04:39:36 UTC 2021 , Edited by admin on Sat Jun 26 04:39:36 UTC 2021
PRIMARY
CAS
3754-05-0
Created by admin on Sat Jun 26 04:39:36 UTC 2021 , Edited by admin on Sat Jun 26 04:39:36 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
URINE