U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H32O3
Molecular Weight 308.4556
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.,6.ALPHA.,17.BETA.-TRIHYDROXY-5.ALPHA.-ANDROSTANE

SMILES

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

InChI

InChIKey=OFAZPSYXUKIJIK-JGRZZSDMSA-N
InChI=1S/C19H32O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h11-17,20-22H,3-10H2,1-2H3/t11-,12-,13-,14-,15+,16-,17-,18+,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H32O3
Molecular Weight 308.4556
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:13:55 GMT 2025
Edited
by admin
on Mon Mar 31 23:13:55 GMT 2025
Record UNII
9PW83L45JI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17.BETA.-TRIHYDROXY-5.ALPHA.-ANDROSTANE
Preferred Name English
3.BETA.,6.ALPHA.,17.BETA.-TRIHYDROXY-5.ALPHA.-ANDROSTANE
Systematic Name English
ANDROSTANE-3,6,17-TRIOL, (3.BETA.,5.ALPHA.,6.ALPHA.,17.BETA.)-
Systematic Name English
ANDROSTANE-3,6,17-TRIOL
Common Name English
5.ALPHA.-ANDROSTANE-3.BETA.,6.ALPHA.,17.BETA.-TRIOL
Systematic Name English
5-ALPHA-ANDROSTANE-3-BETA,7-ALPHA,16-BETA-TRIOL
Common Name English
Code System Code Type Description
PUBCHEM
170796
Created by admin on Mon Mar 31 23:13:55 GMT 2025 , Edited by admin on Mon Mar 31 23:13:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID20964317
Created by admin on Mon Mar 31 23:13:55 GMT 2025 , Edited by admin on Mon Mar 31 23:13:55 GMT 2025
PRIMARY
CAS
49644-04-4
Created by admin on Mon Mar 31 23:13:55 GMT 2025 , Edited by admin on Mon Mar 31 23:13:55 GMT 2025
PRIMARY
FDA UNII
9PW83L45JI
Created by admin on Mon Mar 31 23:13:55 GMT 2025 , Edited by admin on Mon Mar 31 23:13:55 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE