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

Details

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

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

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](O)C5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@H](CCC)O2)C(=O)CO

InChI

InChIKey=JBVVDXJXIDYDMF-NFIPEOECSA-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

Approval Year

Name Type Language
6.ALPHA.-HYDROXYDEXBUDESONIDE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 16,17-(BUTYLIDENEBIS(OXY))-6,11,21-TRIHYDROXY-, (6.ALPHA.,11.BETA.,16.ALPHA.(R))-
Systematic Name English
Code System Code Type Description
CAS
93861-54-2
Created by admin on Sat Dec 16 08:45:06 GMT 2023 , Edited by admin on Sat Dec 16 08:45:06 GMT 2023
PRIMARY
FDA UNII
DQ77JC0L96
Created by admin on Sat Dec 16 08:45:06 GMT 2023 , Edited by admin on Sat Dec 16 08:45:06 GMT 2023
PRIMARY
PUBCHEM
29981208
Created by admin on Sat Dec 16 08:45:06 GMT 2023 , Edited by admin on Sat Dec 16 08:45:06 GMT 2023
PRIMARY