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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H38O8
Molecular Weight 466.5644
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5.ALPHA.-DIHYDROTESTOSTERONE GLUCURONIDE

SMILES

[H][C@@]12CC[C@H](O[C@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC[C@@]5([H])CC(=O)CC[C@]45C

InChI

InChIKey=CLQMBSSRTBUNDV-CPKOJWPQSA-N
InChI=1S/C25H38O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12,14-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H38O8
Molecular Weight 466.5644
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:56:58 GMT 2023
Edited
by admin
on Sat Dec 16 18:56:58 GMT 2023
Record UNII
2VVB2958E5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5.ALPHA.-DIHYDROTESTOSTERONE GLUCURONIDE
Common Name English
5.ALPHA.-DIHYDROTESTOSTERONE-O-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (5.ALPHA.,17.BETA.)-3-OXOANDROSTAN-17-YL
Systematic Name English
17.BETA.-HYDROXY-5.ALPHA.-ANDROSTAN-3-ONE GLUCURONIDE
Common Name English
Code System Code Type Description
FDA UNII
2VVB2958E5
Created by admin on Sat Dec 16 18:56:59 GMT 2023 , Edited by admin on Sat Dec 16 18:56:59 GMT 2023
PRIMARY
CAS
42037-24-1
Created by admin on Sat Dec 16 18:56:59 GMT 2023 , Edited by admin on Sat Dec 16 18:56:59 GMT 2023
PRIMARY
PUBCHEM
44263365
Created by admin on Sat Dec 16 18:56:59 GMT 2023 , Edited by admin on Sat Dec 16 18:56:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID801305053
Created by admin on Sat Dec 16 18:56:59 GMT 2023 , Edited by admin on Sat Dec 16 18:56:59 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
By glucuronosyl transferase (UGT)