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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

CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CO

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

Molecular Formula C26H38O5
Molecular Weight 430.5769
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 Tue Apr 01 23:51:50 GMT 2025
Edited
by admin
on Tue Apr 01 23:51:50 GMT 2025
Record UNII
PFY8NSU2CX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREGN-4-ENE-3,20-DIONE, 17,21-DIHYDROXY-, 17-VALERATE
Preferred Name English
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
Code System Code Type Description
CAS
102216-85-3
Created by admin on Tue Apr 01 23:51:50 GMT 2025 , Edited by admin on Tue Apr 01 23:51:50 GMT 2025
PRIMARY
PUBCHEM
101098564
Created by admin on Tue Apr 01 23:51:50 GMT 2025 , Edited by admin on Tue Apr 01 23:51:50 GMT 2025
PRIMARY
FDA UNII
PFY8NSU2CX
Created by admin on Tue Apr 01 23:51:50 GMT 2025 , Edited by admin on Tue Apr 01 23:51:50 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY