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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32O2
Molecular Weight 316.4776
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.-HYDROXY-5.ALPHA.-PREGN-16-EN-20-ONE

SMILES

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

InChI

InChIKey=SFXPZLCQRZASKK-CKBUFISISA-N
InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16-,18-,19-,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H32O2
Molecular Weight 316.4776
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 19:09:26 GMT 2023
Edited
by admin
on Sat Dec 16 19:09:26 GMT 2023
Record UNII
3KVC0NOT64
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3.BETA.-HYDROXY-5.ALPHA.-PREGN-16-EN-20-ONE
Systematic Name English
3.BETA.-HYDROXY-5.ALPHA.-PREGNAN-16-EN-20-ONE
Systematic Name English
PREGN-16-EN-20-ONE, 3-HYDROXY-, (3.BETA.,5.ALPHA.)-
Systematic Name English
ALLOPREGNENOLONE
Common Name English
3-HYDROXYPREGN-16-EN-20-ONE, (3BETA,5ALPHA)-
Systematic Name English
5.ALPHA.-PREGN-16-EN-20-ONE, 3.BETA.-HYDROXY-
Systematic Name English
.DELTA.16-5.ALPHA.-PREGNEN-3.BETA.-OL-20-ONE
Common Name English
Code System Code Type Description
FDA UNII
3KVC0NOT64
Created by admin on Sat Dec 16 19:09:26 GMT 2023 , Edited by admin on Sat Dec 16 19:09:26 GMT 2023
PRIMARY
PUBCHEM
1775252
Created by admin on Sat Dec 16 19:09:26 GMT 2023 , Edited by admin on Sat Dec 16 19:09:26 GMT 2023
PRIMARY
CAS
566-61-0
Created by admin on Sat Dec 16 19:09:26 GMT 2023 , Edited by admin on Sat Dec 16 19:09:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID101292572
Created by admin on Sat Dec 16 19:09:26 GMT 2023 , Edited by admin on Sat Dec 16 19:09:26 GMT 2023
PRIMARY