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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30O3
Molecular Weight 318.4504
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4,5.ALPHA.-DIHYDRO-2-(HYDROXYMETHYLENE)TESTOSTERONE

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])CC(=O)C(C[C@]34C)=CO

InChI

InChIKey=DKCLFTBKKHWBQS-CVEXGSQQSA-N
InChI=1S/C20H30O3/c1-19-8-7-16-14(15(19)5-6-18(19)23)4-3-13-9-17(22)12(11-21)10-20(13,16)2/h11,13-16,18,21,23H,3-10H2,1-2H3/b12-11-/t13-,14-,15-,16-,18-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H30O3
Molecular Weight 318.4504
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:53:56 GMT 2023
Edited
by admin
on Sat Dec 16 07:53:56 GMT 2023
Record UNII
Q8G15K9IYT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5.ALPHA.-DIHYDRO-2-(HYDROXYMETHYLENE)TESTOSTERONE
Common Name English
ANDROSTAN-3-ONE, 17-HYDROXY-2-(HYDROXYMETHYLENE)-, (5.ALPHA.,17.BETA.)-
Systematic Name English
2-(HYDROXYMETHYLENE)DIHYDROTESTOSTERONE
Systematic Name English
NSC-23768
Code English
TESTOSTERONE,4,5.ALPHA.-DIHYDRO-2-(HYDROXYMETHYLENE)-
Common Name English
(5.ALPHA.,17.BETA.)-17-HYDROXY-2-(HYDROXYMETHYLENE)ANDROSTAN-3-ONE
Systematic Name English
17.BETA.-HYDROXY-2-HYDROXYMETHYLENE-5.ALPHA.-ANDROSTAN-3-ONE
Systematic Name English
Code System Code Type Description
NSC
23768
Created by admin on Sat Dec 16 07:53:56 GMT 2023 , Edited by admin on Sat Dec 16 07:53:56 GMT 2023
PRIMARY
CAS
4033-95-8
Created by admin on Sat Dec 16 07:53:56 GMT 2023 , Edited by admin on Sat Dec 16 07:53:56 GMT 2023
PRIMARY
CAS
95462-32-1
Created by admin on Sat Dec 16 07:53:56 GMT 2023 , Edited by admin on Sat Dec 16 07:53:56 GMT 2023
ALTERNATIVE
EPA CompTox
DTXSID701018641
Created by admin on Sat Dec 16 07:53:56 GMT 2023 , Edited by admin on Sat Dec 16 07:53:56 GMT 2023
PRIMARY
PUBCHEM
229799
Created by admin on Sat Dec 16 07:53:56 GMT 2023 , Edited by admin on Sat Dec 16 07:53:56 GMT 2023
PRIMARY
FDA UNII
Q8G15K9IYT
Created by admin on Sat Dec 16 07:53:56 GMT 2023 , Edited by admin on Sat Dec 16 07:53:56 GMT 2023
PRIMARY