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

Details

Stereochemistry EPIMERIC
Molecular Formula C25H34O7
Molecular Weight 446.5333
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.ALPHA.-HYDROXYBUDESONIDE

SMILES

CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO

InChI

InChIKey=JBVVDXJXIDYDMF-HLQSUVNBSA-N
InChI=1S/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H34O7
Molecular Weight 446.5333
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:17:26 GMT 2025
Edited
by admin
on Mon Mar 31 22:17:26 GMT 2025
Record UNII
FS0TQI5AVI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.ALPHA.-HYDROXYBUDESONIDE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 16,17-(BUTYLIDENEBIS(OXY))-6,11,21-TRIHYDROXY-, (6.ALPHA.,11.BETA.,16.ALPHA.)-
Preferred Name English
Code System Code Type Description
FDA UNII
FS0TQI5AVI
Created by admin on Mon Mar 31 22:17:26 GMT 2025 , Edited by admin on Mon Mar 31 22:17:26 GMT 2025
PRIMARY
CAS
577777-51-6
Created by admin on Mon Mar 31 22:17:26 GMT 2025 , Edited by admin on Mon Mar 31 22:17:26 GMT 2025
PRIMARY
RS_ITEM_NUM
1A01390
Created by admin on Mon Mar 31 22:17:26 GMT 2025 , Edited by admin on Mon Mar 31 22:17:26 GMT 2025
PRIMARY
PUBCHEM
45039413
Created by admin on Mon Mar 31 22:17:26 GMT 2025 , Edited by admin on Mon Mar 31 22:17:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID60662007
Created by admin on Mon Mar 31 22:17:26 GMT 2025 , Edited by admin on Mon Mar 31 22:17:26 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
URINE