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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O5
Molecular Weight 362.4599
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (11β,20S)-11,17,20,21-Tetrahydroxypregna-1,4-dien-3-one

SMILES

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

InChI

InChIKey=LCOVYWIXMAJCDS-FJWDNACWSA-N
InChI=1S/C21H30O5/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/h5,7,9,14-18,22,24-26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H30O5
Molecular Weight 362.4599
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 15:43:33 UTC 2023
Edited
by admin
on Sat Dec 16 15:43:33 UTC 2023
Record UNII
NN79HDK6LV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(11β,20S)-11,17,20,21-Tetrahydroxypregna-1,4-dien-3-one
Systematic Name English
20α-Hydroxyprednisolone
Common Name English
PREDNISOLONE IMPURITY G [EP IMPURITY]
Common Name English
Pregna-1,4-dien-3-one, 11,17,20,21-tetrahydroxy-, (11β,20S)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90553373
Created by admin on Sat Dec 16 15:43:33 UTC 2023 , Edited by admin on Sat Dec 16 15:43:33 UTC 2023
PRIMARY
PUBCHEM
13962391
Created by admin on Sat Dec 16 15:43:33 UTC 2023 , Edited by admin on Sat Dec 16 15:43:33 UTC 2023
PRIMARY
FDA UNII
NN79HDK6LV
Created by admin on Sat Dec 16 15:43:33 UTC 2023 , Edited by admin on Sat Dec 16 15:43:33 UTC 2023
PRIMARY
CAS
2299-46-9
Created by admin on Sat Dec 16 15:43:33 UTC 2023 , Edited by admin on Sat Dec 16 15:43:33 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP