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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26O2
Molecular Weight 286.4085
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANDROST-4-ENE-3,17-DIONE, (13.ALPHA.)-

SMILES

C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O

InChI

InChIKey=AEMFNILZOJDQLW-BGJMDTOESA-N
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/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H26O2
Molecular Weight 286.4085
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis and steroid sulphatase inhibitory activity of C19- and C21-steroidal derivatives bearing a benzyl-inhibiting group.
2001-10-16
The aryl hydrocarbon receptor (AHR)/AHR nuclear translocator (ARNT) heterodimer interacts with naturally occurring estrogen response elements.
1999-11-25
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:27:00 GMT 2025
Edited
by admin
on Mon Mar 31 21:27:00 GMT 2025
Record UNII
4B6H7L8608
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-67578
Preferred Name English
ANDROST-4-ENE-3,17-DIONE, (13.ALPHA.)-
Systematic Name English
13.ALPHA.-ANDROST-4-ENE-3,17-DIONE
Systematic Name English
Classification Tree Code System Code
DEA NO. 4000
Created by admin on Mon Mar 31 21:27:00 GMT 2025 , Edited by admin on Mon Mar 31 21:27:00 GMT 2025
Code System Code Type Description
PUBCHEM
249335
Created by admin on Mon Mar 31 21:27:00 GMT 2025 , Edited by admin on Mon Mar 31 21:27:00 GMT 2025
PRIMARY
CAS
18485-76-2
Created by admin on Mon Mar 31 21:27:00 GMT 2025 , Edited by admin on Mon Mar 31 21:27:00 GMT 2025
PRIMARY
NSC
67578
Created by admin on Mon Mar 31 21:27:00 GMT 2025 , Edited by admin on Mon Mar 31 21:27:00 GMT 2025
PRIMARY
EPA CompTox
DTXSID80171666
Created by admin on Mon Mar 31 21:27:00 GMT 2025 , Edited by admin on Mon Mar 31 21:27:00 GMT 2025
PRIMARY
FDA UNII
4B6H7L8608
Created by admin on Mon Mar 31 21:27:00 GMT 2025 , Edited by admin on Mon Mar 31 21:27:00 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY