(Q27148793)

14-Hydroxyandrosta-1,4-diene-3,17-dione (English)

8 October 2016

chemical formula

C₁₉H₂₄O₃

1 reference

14-Hydroxyandrosta-1,4-diene-3,17-dione (English)

19 November 2016

canonical SMILES

CC12CCC3C(C1(CCC2=O)O)CCC4=CC(=O)C=CC34C

1 reference

14-Hydroxyandrosta-1,4-diene-3,17-dione (English)

19 November 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@]1(CCC2=O)O)CCC4=CC(=O)C=C[C@]34C

1 reference

14-Hydroxyandrosta-1,4-diene-3,17-dione (English)

InChI=1S/C19H24O3/c1-17-8-5-13(20)11-12(17)3-4-15-14(17)6-9-18(2)16(21)7-10-19(15,18)22/h5,8,11,14-15,22H,3-4,6-7,9-10H2,1-2H3/t14-,15+,17-,18+,19+/m0/s1

19 November 2016

Identifiers

InChI

1 reference

14-Hydroxyandrosta-1,4-diene-3,17-dione (English)

19 November 2016

2 references

14-Hydroxyandrosta-1,4-diene-3,17-dione (English)

Global Substance Registration System

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

18149-97-8

1 reference

stated in

UNII

1V7O27YRNC

14-hydroxy-androsta-1,4-diene-3,17-dione (English)

19 November 2016

1 reference

14-Hydroxyandrosta-1,4-diene-3,17-dione (English)

19 November 2016

2 references

14-Hydroxyandrosta-1,4-diene-3,17-dione (English)

19 November 2016

ChEBI ID

79668

mapping relation type

2 references

14-Hydroxyandrosta-1,4-diene-3,17-dione (English)

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C19H24O3/c1-17-8-5-13(20)11-12(17)3-4-15-14(17)6-9-18(2)16(21)7-10-19(15,18)22/h5,8,11,14-15,22H,3-4,6-7,9-10H2,1-2H3/t14-,15+,17-,18+,19+/m0/s1

1 reference

2 references

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

DSSTOX compound identifier

0 references

0 references

2 references

Global Substance Registration System

UNII

1V7O27YRNC

14-hydroxy-androsta-1,4-diene-3,17-dione (English)

19 November 2016

1 reference

14-Hydroxyandrosta-1,4-diene-3,17-dione (English)