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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O4
Molecular Weight 346.4605
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.-ACETOXY-19-HYDROXYANDROST-5-EN-17-ONE

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC=C4C[C@H](CC[C@]34CO)OC(C)=O

InChI

InChIKey=JDEYENFMPLMNPT-JPRZGNOKSA-N
InChI=1S/C21H30O4/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,15-18,22H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H30O4
Molecular Weight 346.4605
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:00:32 GMT 2023
Edited
by admin
on Sat Dec 16 09:00:32 GMT 2023
Record UNII
5J89F92ZYS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3.BETA.-ACETOXY-19-HYDROXYANDROST-5-EN-17-ONE
Systematic Name English
3.BETA.-ACETOXY-19-HYDROXYANDROST-5-EN-17-ONE, (+)-
Systematic Name English
3.BETA.,19-DIHYDROXYANDROST-5-EN-17-ONE 3-ACETATE
Systematic Name English
ANDROST-5-EN-17-ONE, 3-(ACETYLOXY)-19-HYDROXY-, (3.BETA.)-
Systematic Name English
NSC-72259
Code English
ANDROST-5-EN-17-ONE,3.BETA.,19-DIHYDROXY-,3-ACETATE
Common Name English
Code System Code Type Description
CAS
2857-42-3
Created by admin on Sat Dec 16 09:00:32 GMT 2023 , Edited by admin on Sat Dec 16 09:00:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID40951249
Created by admin on Sat Dec 16 09:00:32 GMT 2023 , Edited by admin on Sat Dec 16 09:00:32 GMT 2023
PRIMARY
NSC
72259
Created by admin on Sat Dec 16 09:00:32 GMT 2023 , Edited by admin on Sat Dec 16 09:00:32 GMT 2023
PRIMARY
PUBCHEM
251635
Created by admin on Sat Dec 16 09:00:32 GMT 2023 , Edited by admin on Sat Dec 16 09:00:32 GMT 2023
PRIMARY
FDA UNII
5J89F92ZYS
Created by admin on Sat Dec 16 09:00:32 GMT 2023 , Edited by admin on Sat Dec 16 09:00:32 GMT 2023
PRIMARY