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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

[H][C@@]12CCC(=O)[C@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=CC(=O)CC[C@]34C

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
The aryl hydrocarbon receptor (AHR)/AHR nuclear translocator (ARNT) heterodimer interacts with naturally occurring estrogen response elements.
1999 Nov 25
Synthesis and steroid sulphatase inhibitory activity of C19- and C21-steroidal derivatives bearing a benzyl-inhibiting group.
2001 Jul-Aug
Substance Class Chemical
Created
by admin
on Sat Dec 16 05:11:13 GMT 2023
Edited
by admin
on Sat Dec 16 05:11:13 GMT 2023
Record UNII
4B6H7L8608
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANDROST-4-ENE-3,17-DIONE, (13.ALPHA.)-
Systematic Name English
13.ALPHA.-ANDROST-4-ENE-3,17-DIONE
Systematic Name English
NSC-67578
Code English
Classification Tree Code System Code
DEA NO. 4000
Created by admin on Sat Dec 16 05:11:13 GMT 2023 , Edited by admin on Sat Dec 16 05:11:13 GMT 2023
Code System Code Type Description
PUBCHEM
249335
Created by admin on Sat Dec 16 05:11:13 GMT 2023 , Edited by admin on Sat Dec 16 05:11:13 GMT 2023
PRIMARY
CAS
18485-76-2
Created by admin on Sat Dec 16 05:11:13 GMT 2023 , Edited by admin on Sat Dec 16 05:11:13 GMT 2023
PRIMARY
NSC
67578
Created by admin on Sat Dec 16 05:11:13 GMT 2023 , Edited by admin on Sat Dec 16 05:11:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID80171666
Created by admin on Sat Dec 16 05:11:13 GMT 2023 , Edited by admin on Sat Dec 16 05:11:13 GMT 2023
PRIMARY
FDA UNII
4B6H7L8608
Created by admin on Sat Dec 16 05:11:13 GMT 2023 , Edited by admin on Sat Dec 16 05:11:13 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY