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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O6
Molecular Weight 376.4434
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11.BETA.,14.ALPHA.,17,21-TETRAHYDROXYPREGNA-1,4-DIENE-3,20-DIONE

SMILES

[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]4(C)[C@](O)(CC[C@@]24O)C(=O)CO

InChI

InChIKey=USJJKJYVBSEDNP-CNPAUTQISA-N
InChI=1S/C21H28O6/c1-18-6-5-13(23)9-12(18)3-4-14-17(18)15(24)10-19(2)20(14,26)7-8-21(19,27)16(25)11-22/h5-6,9,14-15,17,22,24,26-27H,3-4,7-8,10-11H2,1-2H3/t14-,15+,17-,18+,19+,20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H28O6
Molecular Weight 376.4434
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 15:25:57 GMT 2023
Edited
by admin
on Sat Dec 16 15:25:57 GMT 2023
Record UNII
MT32XMB69T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11.BETA.,14.ALPHA.,17,21-TETRAHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
14.ALPHA.-HYDROXYPREDNISOLONE
Common Name English
PREDNISOLONE IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
MT32XMB69T
Created by admin on Sat Dec 16 15:25:58 GMT 2023 , Edited by admin on Sat Dec 16 15:25:58 GMT 2023
PRIMARY
PUBCHEM
71749284
Created by admin on Sat Dec 16 15:25:58 GMT 2023 , Edited by admin on Sat Dec 16 15:25:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID80857832
Created by admin on Sat Dec 16 15:25:58 GMT 2023 , Edited by admin on Sat Dec 16 15:25:58 GMT 2023
PRIMARY
CAS
95815-58-0
Created by admin on Sat Dec 16 15:25:58 GMT 2023 , Edited by admin on Sat Dec 16 15:25:58 GMT 2023
PRIMARY
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