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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

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC(O)(CO)C4=CC(=O)C=C[C@]34C

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 Sat Dec 16 16:38:39 GMT 2023
Edited
by admin
on Sat Dec 16 16:38:39 GMT 2023
Record UNII
HP9BS6R75R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
FCE-27473
Code English
Code System Code Type Description
CAS
184972-11-0
Created by admin on Sat Dec 16 16:38:39 GMT 2023 , Edited by admin on Sat Dec 16 16:38:39 GMT 2023
PRIMARY
PUBCHEM
71749075
Created by admin on Sat Dec 16 16:38:39 GMT 2023 , Edited by admin on Sat Dec 16 16:38:39 GMT 2023
PRIMARY
FDA UNII
HP9BS6R75R
Created by admin on Sat Dec 16 16:38:39 GMT 2023 , Edited by admin on Sat Dec 16 16:38:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID60857779
Created by admin on Sat Dec 16 16:38:39 GMT 2023 , Edited by admin on Sat Dec 16 16:38:39 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY