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Details

Stereochemistry EPIMERIC
Molecular Formula C25H36O6
Molecular Weight 432.5507
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 20-HYDROXYBUDESONIDE, (S)-

SMILES

CCCC1([H])O[C@]2([H])C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@]([H])(C[C@]3(C)[C@]2([C@]([H])(CO)O)O1)O

InChI

InChIKey=RUWOCYNXJRLZDO-PGGLIXQJSA-N
InChI=1S/C25H36O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-22,26,28-29H,4-7,11-13H2,1-3H3/t16-,17-,18-,19-,20+,21?,22+,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H36O6
Molecular Weight 432.5507
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 8 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 03:49:13 UTC 2021
Edited
by admin
on Sat Jun 26 03:49:13 UTC 2021
Record UNII
68MRA3T86B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
20-HYDROXYBUDESONIDE, (S)-
Common Name English
PREGNA-1,4-DIEN-3-ONE, 16,17-(BUTYLIDENEBIS(OXY))-11,20,21-TRIHYDROXY-, (11.BETA.,16.ALPHA.,20S)-
Systematic Name English
Code System Code Type Description
CAS
1379578-64-9
Created by admin on Sat Jun 26 03:49:13 UTC 2021 , Edited by admin on Sat Jun 26 03:49:13 UTC 2021
PRIMARY
PUBCHEM
91810677
Created by admin on Sat Jun 26 03:49:13 UTC 2021 , Edited by admin on Sat Jun 26 03:49:13 UTC 2021
PRIMARY
FDA UNII
68MRA3T86B
Created by admin on Sat Jun 26 03:49:13 UTC 2021 , Edited by admin on Sat Jun 26 03:49:13 UTC 2021
PRIMARY
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