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Details

Stereochemistry EPIMERIC
Molecular Formula C20H26O4
Molecular Weight 330.418
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Hydroxy-6-(hydroxymethyl)androsta-1,4-diene-3,17-dione

SMILES

C[C@]12CC[C@H]3[C@@H](CC(O)(CO)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O

InChI

InChIKey=NQQZWPXWZWALLC-YCNUYBHRSA-N
InChI=1S/C20H26O4/c1-18-7-5-12(22)9-16(18)20(24,11-21)10-13-14-3-4-17(23)19(14,2)8-6-15(13)18/h5,7,9,13-15,21,24H,3-4,6,8,10-11H2,1-2H3/t13-,14-,15-,18+,19-,20?/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H26O4
Molecular Weight 330.418
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:10:06 GMT 2025
Edited
by admin
on Wed Apr 02 08:10:06 GMT 2025
Record UNII
HP9BS6R75R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FCE-27473
Preferred Name English
6-Hydroxy-6-(hydroxymethyl)androsta-1,4-diene-3,17-dione
Systematic Name English
Androsta-1,4-diene-3,17-dione, 6-hydroxy-6-(hydroxymethyl)-
Systematic Name English
Code System Code Type Description
CAS
184972-11-0
Created by admin on Wed Apr 02 08:10:06 GMT 2025 , Edited by admin on Wed Apr 02 08:10:06 GMT 2025
PRIMARY
PUBCHEM
71749075
Created by admin on Wed Apr 02 08:10:06 GMT 2025 , Edited by admin on Wed Apr 02 08:10:06 GMT 2025
PRIMARY
FDA UNII
HP9BS6R75R
Created by admin on Wed Apr 02 08:10:06 GMT 2025 , Edited by admin on Wed Apr 02 08:10:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID60857779
Created by admin on Wed Apr 02 08:10:06 GMT 2025 , Edited by admin on Wed Apr 02 08:10:06 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY