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Details

Stereochemistry EPIMERIC
Molecular Formula C25H32O5
Molecular Weight 412.5186
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9,11-ANHYDROBUDESONIDE

SMILES

[H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)CC=C4[C@@]2([H])CCC5=CC(=O)C=C[C@]45C

InChI

InChIKey=BGHUSGMMTUEBEE-RHFXYJBUSA-N
InChI=1S/C25H32O5/c1-4-5-22-29-21-13-19-17-7-6-15-12-16(27)8-10-23(15,2)18(17)9-11-24(19,3)25(21,30-22)20(28)14-26/h8-10,12,17,19,21-22,26H,4-7,11,13-14H2,1-3H3/t17-,19+,21-,22?,23+,24+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H32O5
Molecular Weight 412.5186
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 16:37:38 UTC 2023
Edited
by admin
on Thu Jul 06 16:37:38 UTC 2023
Record UNII
HGK3X9TC3Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9,11-ANHYDROBUDESONIDE
Common Name English
BUDESONIDE IMPURITY H [EP IMPURITY]
Common Name English
PREGNA-1,4,9(11)-TRIENE-3,20-DIONE, 16,17-(BUTYLIDENEBIS(OXY))-21-HYDROXY-, (16.ALPHA.)-
Systematic Name English
16.ALPHA.,17-((1RS)-BUTYLIDENEBIS(OXY))-21-HYDROXYPREGNA1,4,9(11)-TRIENE-3,20-DIONE
Systematic Name English
Code System Code Type Description
FDA UNII
HGK3X9TC3Y
Created by admin on Thu Jul 06 16:37:38 UTC 2023 , Edited by admin on Thu Jul 06 16:37:38 UTC 2023
PRIMARY
RS_ITEM_NUM
1A00680
Created by admin on Thu Jul 06 16:37:38 UTC 2023 , Edited by admin on Thu Jul 06 16:37:38 UTC 2023
PRIMARY
PUBCHEM
15391895
Created by admin on Thu Jul 06 16:37:38 UTC 2023 , Edited by admin on Thu Jul 06 16:37:38 UTC 2023
PRIMARY
CAS
313474-58-7
Created by admin on Thu Jul 06 16:37:38 UTC 2023 , Edited by admin on Thu Jul 06 16:37:38 UTC 2023
PRIMARY
Related Record Type Details
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