(5α)-4,5-dihydroprednisone (Q27258972)

UNII-46ZUX92IMF (English)

(5β)-4,5-dihydroprednisone

14 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₅

1 reference

UNII-46ZUX92IMF (English)

14 October 2016

canonical SMILES

CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4C3(C=CC(=O)C4)C

1 reference

UNII-46ZUX92IMF (English)

14 October 2016

isomeric SMILES

C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C

1 reference

UNII-46ZUX92IMF (English)

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/h5,7,12,14-15,18,22,26H,3-4,6,8-11H2,1-2H3/t12-,14-,15-,18+,19-,20-,21-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-46ZUX92IMF (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-46ZUX92IMF (English)

14 October 2016

1 reference

UNII

46ZUX92IMF

(5α)-4,5-dihydroprednisone (English)

14 October 2016

1 reference

(5alpha)-17,21-Dihydroxypregn-1-ene-3,11,20-trione (English)

14 October 2016

2 references

UNII-46ZUX92IMF (English)

matched by identifier from

14 October 2016

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

matched by identifier from

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

46ZUX92IMF

(5α)-4,5-dihydroprednisone (English)

matched by identifier from

14 October 2016