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Details

Stereochemistry MIXED
Molecular Formula C21H30O6
Molecular Weight 378.4601
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11-KETO-4,5-DIHYDRO-3,16.ALPHA.-DIHYDROXYPREDNISOLONE

SMILES

C[C@@]12C=CC([H])(CC2([H])CC[C@@]3([H])[C@]4([H])C[C@]([H])([C@](C(=O)CO)([C@@]4(C)CC(=O)[C@@]31[H])O)O)O

InChI

InChIKey=KCCKOAMJUDFXOF-OSPVKULHSA-N
InChI=1S/C21H30O6/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/h5-6,11-14,16,18,22-23,25,27H,3-4,7-10H2,1-2H3/t11?,12?,13-,14-,16+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H30O6
Molecular Weight 378.4601
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 7 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 09:53:45 UTC 2021
Edited
by admin
on Sat Jun 26 09:53:45 UTC 2021
Record UNII
XVV1YX4V1J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11-KETO-4,5-DIHYDRO-3,16.ALPHA.-DIHYDROXYPREDNISOLONE
Common Name English
PREGN-1-ENE-11,20-DIONE, 3,16,17,21-TETRAHYDROXY-, (16.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
1379578-69-4
Created by admin on Sat Jun 26 09:53:45 UTC 2021 , Edited by admin on Sat Jun 26 09:53:45 UTC 2021
PRIMARY
FDA UNII
XVV1YX4V1J
Created by admin on Sat Jun 26 09:53:45 UTC 2021 , Edited by admin on Sat Jun 26 09:53:45 UTC 2021
PRIMARY
PUBCHEM
91810682
Created by admin on Sat Jun 26 09:53:45 UTC 2021 , Edited by admin on Sat Jun 26 09:53:45 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Catalyzed by two enzymes, the 4-ene-5.BETA.-reductase and the 4-ene-5.ALPHA.-reductase. The second stage utilizes the enzymes 3.ALPHA.- and, to a much lesser extent, 3.BETA.-hydroxysteroid dehydrogenases
MINOR
URINE