1,4-Androstadiene-3,17-dione

Systematic / IUPAC Name: Androsta-1,4-diene-3,17-dione

ID: Reference7165

Other Names: (+)-Androsta-1,4-diene-3,17-dione;
1,4-Androstadien-3,17-dione;
1-Dehydroandrostenedione;
Androstadienedione;
Androstane-1,4-diene-3, 17-dione ; more

Formula: C19H24O2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

1,4-Androstadiene-3,17-dione mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/12/2017 8:21:45 AM
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Identificators

InChI InChI=1S/C19H24O2/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/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChI Key LUJVUUWNAPIQQI-QAGGRKNESA-N
Canonical SMILES CC12CCC3C(C1CCC2=O)CCC4=CC(=O)C=CC34C
CAS 897063
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Other Names (+)-Androsta-1,4-diene-3,17-dione;
1,4-Androstadien-3,17-dione;
1-Dehydroandrostenedione;
Androstadienedione;
Androstane-1,4-diene-3, 17-dione;
Androstenedone;
Boldione;
(8R,9S,10R,13S,14S)-10,13-Dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3H-cyclopenta[a]phenanthrene-3,17(6H)-dione;
(8R,9S,10R,13S,14S)-10,13-Dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione;
10,13-Dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclopenta[a]phenanthrene-3,17-dione

In Other Databases

ChEBI CHEBI:40799
ChEMBL CHEMBL1078534
PubChem 13472
DrugBank DB07373
HMDb HMDB03422
ChemIDPlus 000897063
KEGG C20144
ChemSpider 12893