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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O5
Molecular Weight 360.444
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (11.ALPHA.)-11,17,21-TRIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE

SMILES

[H][C@@]12CC[C@](O)(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=OIGNJSKKLXVSLS-MKIDGPAKSA-N
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H28O5
Molecular Weight 360.444
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 Dec 16 15:25:15 UTC 2023
Edited
by admin
on Sat Dec 16 15:25:15 UTC 2023
Record UNII
VC7U8F7FXE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(11.ALPHA.)-11,17,21-TRIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
PREDNISOLONE IMPURITY F [EP IMPURITY]
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 11,17,21-TRIHYDROXY-, (11.ALPHA.)-
Systematic Name English
EPIPREDNISOLONE
Common Name English
11.ALPHA.,17,21-TRIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
11-EPI-PREDNISOLONE
Common Name English
Code System Code Type Description
FDA UNII
VC7U8F7FXE
Created by admin on Sat Dec 16 15:25:15 UTC 2023 , Edited by admin on Sat Dec 16 15:25:15 UTC 2023
PRIMARY
PUBCHEM
12358724
Created by admin on Sat Dec 16 15:25:15 UTC 2023 , Edited by admin on Sat Dec 16 15:25:15 UTC 2023
PRIMARY
CAS
600-90-8
Created by admin on Sat Dec 16 15:25:15 UTC 2023 , Edited by admin on Sat Dec 16 15:25:15 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP