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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26O3
Molecular Weight 302.4079
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5?-androstan-3,6,17-trione

SMILES

C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4CC(=O)CC[C@]34C)[C@@H]1CCC2=O

InChI

InChIKey=MGUDNDBPVZPSQA-JOFNPIDHSA-N
InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h12-15H,3-10H2,1-2H3/t12-,13-,14-,15+,18+,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H26O3
Molecular Weight 302.4079
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:47:27 GMT 2025
Edited
by admin
on Wed Apr 02 11:47:27 GMT 2025
Record UNII
28A2EBA62T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5.ALPHA.)-ANDROSTANE-3,6,17-TRIONE
Preferred Name English
5?-androstan-3,6,17-trione
Common Name English
ANDROSTANE-3,6,17-TRIONE, (5.ALPHA.)-
Common Name English
KNELLER'S TRIONE
Common Name English
Classification Tree Code System Code
DEA NO. 4000
Created by admin on Wed Apr 02 11:47:27 GMT 2025 , Edited by admin on Wed Apr 02 11:47:27 GMT 2025
Code System Code Type Description
PUBCHEM
11522319
Created by admin on Wed Apr 02 11:47:27 GMT 2025 , Edited by admin on Wed Apr 02 11:47:27 GMT 2025
PRIMARY
FDA UNII
28A2EBA62T
Created by admin on Wed Apr 02 11:47:27 GMT 2025 , Edited by admin on Wed Apr 02 11:47:27 GMT 2025
PRIMARY
CAYMAN
17945
Created by admin on Wed Apr 02 11:47:27 GMT 2025 , Edited by admin on Wed Apr 02 11:47:27 GMT 2025
PRIMARY
CAS
2243-05-2
Created by admin on Wed Apr 02 11:47:27 GMT 2025 , Edited by admin on Wed Apr 02 11:47:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID701347729
Created by admin on Wed Apr 02 11:47:27 GMT 2025 , Edited by admin on Wed Apr 02 11:47:27 GMT 2025
PRIMARY