U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32O2
Molecular Weight 316.4776
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-HYDROXY-4,4-DIMETHYLANDROST-5-EN-3-ONE, (17.BETA.)-

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC=C4C(C)(C)C(=O)CC[C@]34C

InChI

InChIKey=YTYDBCHHXXGVEN-KUJXMBTLSA-N
InChI=1S/C21H32O2/c1-19(2)16-7-5-13-14-6-8-18(23)21(14,4)11-9-15(13)20(16,3)12-10-17(19)22/h7,13-15,18,23H,5-6,8-12H2,1-4H3/t13-,14-,15-,18-,20+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H32O2
Molecular Weight 316.4776
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 Sat Dec 16 08:19:22 GMT 2023
Edited
by admin
on Sat Dec 16 08:19:22 GMT 2023
Record UNII
C59M7ARK37
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-HYDROXY-4,4-DIMETHYLANDROST-5-EN-3-ONE, (17.BETA.)-
Systematic Name English
NSC-15452
Code English
ANDROST-5-EN-3-ONE, 17-HYDROXY-4,4-DIMETHYL-, (17.BETA.)-
Systematic Name English
NSC-14941
Code English
(17.BETA.)-17-HYDROXY-4,4-DIMETHYLANDROST-5-EN-3-ONE
Systematic Name English
NSC-12434
Code English
U-5526
Code English
ANDROST-5-EN-3-ONE,17.BETA.-HYDROXY-4,4-DIMETHYL-
Common Name English
Code System Code Type Description
FDA UNII
C59M7ARK37
Created by admin on Sat Dec 16 08:19:22 GMT 2023 , Edited by admin on Sat Dec 16 08:19:22 GMT 2023
PRIMARY
NSC
14941
Created by admin on Sat Dec 16 08:19:22 GMT 2023 , Edited by admin on Sat Dec 16 08:19:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID60279356
Created by admin on Sat Dec 16 08:19:22 GMT 2023 , Edited by admin on Sat Dec 16 08:19:22 GMT 2023
PRIMARY
PUBCHEM
224156
Created by admin on Sat Dec 16 08:19:22 GMT 2023 , Edited by admin on Sat Dec 16 08:19:22 GMT 2023
PRIMARY
NSC
12434
Created by admin on Sat Dec 16 08:19:22 GMT 2023 , Edited by admin on Sat Dec 16 08:19:22 GMT 2023
PRIMARY
NSC
15452
Created by admin on Sat Dec 16 08:19:22 GMT 2023 , Edited by admin on Sat Dec 16 08:19:22 GMT 2023
PRIMARY
CAS
5062-44-2
Created by admin on Sat Dec 16 08:19:22 GMT 2023 , Edited by admin on Sat Dec 16 08:19:22 GMT 2023
PRIMARY