1-androstenedione (Q4545766)

1-Androstenedione (English)

14 October 2016

chemical formula

C₁₉H₂₆O₂

1 reference

1-Androstenedione (English)

14 October 2016

canonical SMILES

CC12CCC3C(C1CCC2=O)CCC4C3(C=CC(=O)C4)C

1 reference

1-Androstenedione (English)

14 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C

1 reference

1-Androstenedione (English)

InChI=1S/C19H26O2/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/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1

14 October 2016

Commons category

1-Androstenedione

0 references

Identifiers

InChI

1 reference

1-Androstenedione (English)

14 October 2016

2 references

1-Androstenedione (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

571-40-4

2 references

Global Substance Registration System

UNII

C1091EX356

1-androstenedione (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=571-40-4

9 April 2021

1 reference

(5alpha)-Androst-1-ene-3,17-dione (English)

14 October 2016

1 reference

1-Androstenedione (English)

14 October 2016

ChEBI ID

133930

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C19H26O2/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/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1

1 reference

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP011415

0 references

SPLASH

splash10-00dl-1960000000-f8d0024068ac7689e29a

0 references

DSSTox substance ID

DTXSID60458467

2 references

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

DSSTOX compound identifier

0 references

1 reference

6 July 2021

CAS no.: 571-40-4 (English)

1-Androstenedione (English)

DB01451

1 reference

UNII

C1091EX356

2 references

Global Substance Registration System

UNII

C1091EX356

1-androstenedione (English)

14 October 2016