4-androsten-3β-ol-17-one (Q4637119)

CHEMBL1077603 (English)

3α-hydroxyandrost-4-en-17-one

14 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₈O₂

1 reference

CHEMBL1077603 (English)

14 October 2016

canonical SMILES

CC12CCC(C=C1CCC3C2CCC4(C3CCC4=O)C)O

1 reference

CHEMBL1077603 (English)

14 October 2016

isomeric SMILES

C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O

1 reference

CHEMBL1077603 (English)

InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-16,20H,3-10H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

CHEMBL1077603 (English)

14 October 2016

1 reference

Global Substance Registration System

CHEMBL1077603 (English)

14 October 2016

2 references

UNII

8U3PGO66GQ

4-androsten-3β-ol-17-one (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=571-44-8

9 April 2021

1 reference

3Beta-hydroxyandrost-4-en-17-one (English)

14 October 2016

2 references

CHEMBL1077603 (English)

matched by identifier from

14 October 2016

1 reference

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

CHEMBL1077603 (English)

14 October 2016

1 reference

2 references

matched by identifier from

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

8U3PGO66GQ

4-androsten-3β-ol-17-one (English)

matched by identifier from

14 October 2016