androsta-3,5-diene-7,17-dione (Q27266598)

Androsta-3,5-diene-7,17-dione (English)

14 October 2016

chemical formula

C₁₉H₂₄O₂

1 reference

Androsta-3,5-diene-7,17-dione (English)

14 October 2016

canonical SMILES

CC12CCC3C(C1CCC2=O)C(=O)C=C4C3(CCC=C4)C

1 reference

Androsta-3,5-diene-7,17-dione (English)

14 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C4[C@@]3(CCC=C4)C

1 reference

Androsta-3,5-diene-7,17-dione (English)

InChI=1S/C19H24O2/c1-18-9-4-3-5-12(18)11-15(20)17-13-6-7-16(21)19(13,2)10-8-14(17)18/h3,5,11,13-14,17H,4,6-10H2,1-2H3/t13-,14-,17-,18-,19-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Androsta-3,5-diene-7,17-dione (English)

VHDOTNMSJDQVEE-ZENYQMPMSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Androsta-3,5-diene-7,17-dione (English)

14 October 2016

1 reference

UNII

77P0LYX19T

androsta-3,5-diene-7,17-dione (English)

14 October 2016

1 reference

Androsta-3,5-diene-7,17-dione (English)

14 October 2016

2 references

Androsta-3,5-diene-7,17-dione (English)

matched by identifier from

14 October 2016

InChIKey

VHDOTNMSJDQVEE-ZENYQMPMSA-N

1 reference

0 references

DSSTOX compound identifier

0 references

0 references

2 references

Global Substance Registration System

UNII

77P0LYX19T

androsta-3,5-diene-7,17-dione (English)