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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32O4
Molecular Weight 348.4764
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17,20,21-TRIHYDROXYPREGN-4-EN-3-ONE, (20R)-

SMILES

[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=CC(=O)CC[C@]34C

InChI

InChIKey=XNFSGLNHLVHCFT-RMWFXKKMSA-N
InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-18,22,24-25H,3-10,12H2,1-2H3/t15-,16+,17+,18-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
17,20,21-TRIHYDROXYPREGN-4-EN-3-ONE, (20R)-
Systematic Name English
PREGN-4-EN-3-ONE, 17,20,21-TRIHYDROXY-, (20R)-
Systematic Name English
17-(1,2-DIHYDROXYETHYL)-.DELTA.4-ANDROSTEN-3-ON-17.ALPHA.-OL
Common Name English
4-PREGNENE-17.ALPHA.,20.BETA.,21-TRIOL-3-ONE
MI  
Common Name English
4-PREGNENE-17.ALPHA.,20.BETA.,21-TRIOL-3-ONE [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m9120
Created by admin on Sat Dec 16 18:35:01 GMT 2023 , Edited by admin on Sat Dec 16 18:35:01 GMT 2023
PRIMARY Merck Index
CAS
128-19-8
Created by admin on Sat Dec 16 18:35:01 GMT 2023 , Edited by admin on Sat Dec 16 18:35:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID201030563
Created by admin on Sat Dec 16 18:35:01 GMT 2023 , Edited by admin on Sat Dec 16 18:35:01 GMT 2023
PRIMARY
FDA UNII
0D4P2U6DN8
Created by admin on Sat Dec 16 18:35:01 GMT 2023 , Edited by admin on Sat Dec 16 18:35:01 GMT 2023
PRIMARY
PUBCHEM
9902917
Created by admin on Sat Dec 16 18:35:01 GMT 2023 , Edited by admin on Sat Dec 16 18:35:01 GMT 2023
PRIMARY