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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H38O5
Molecular Weight 430.5769
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 21-HYDROXY-17-((1-OXOPENTYL)OXY)PREGN-4-ENE-3,20-DIONE

SMILES

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

InChI

InChIKey=ASPFAYCVAKUOPF-MTVQHZRTSA-N
InChI=1S/C26H38O5/c1-4-5-6-23(30)31-26(22(29)16-27)14-11-21-19-8-7-17-15-18(28)9-12-24(17,2)20(19)10-13-25(21,26)3/h15,19-21,27H,4-14,16H2,1-3H3/t19-,20+,21+,24+,25+,26+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
21-HYDROXY-17-((1-OXOPENTYL)OXY)PREGN-4-ENE-3,20-DIONE
Systematic Name English
PREGN-4-ENE-3,20-DIONE, 21-HYDROXY-17-((1-OXOPENTYL)OXY)-
Systematic Name English
PREGN-4-ENE-3,20-DIONE, 17,21-DIHYDROXY-, 17-VALERATE
Common Name English
Code System Code Type Description
CAS
102216-85-3
Created by admin on Sat Dec 16 14:28:49 GMT 2023 , Edited by admin on Sat Dec 16 14:28:49 GMT 2023
PRIMARY
PUBCHEM
101098564
Created by admin on Sat Dec 16 14:28:49 GMT 2023 , Edited by admin on Sat Dec 16 14:28:49 GMT 2023
PRIMARY
FDA UNII
PFY8NSU2CX
Created by admin on Sat Dec 16 14:28:49 GMT 2023 , Edited by admin on Sat Dec 16 14:28:49 GMT 2023
PRIMARY