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

Details

Stereochemistry MIXED
Molecular Formula C21H30O6
Molecular Weight 378.4593
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11-KETO-4,5-DIHYDRO-3,16.ALPHA.-DIHYDROXYPREDNISOLONE

SMILES

[H][C@@]1(O)C[C@@]2([H])[C@]3([H])CCC4CC(O)C=C[C@]4(C)[C@@]3([H])C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO

InChI

InChIKey=KCCKOAMJUDFXOF-OSPVKULHSA-N
InChI=1S/C21H30O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-6,11-14,16,18,22-23,25,27H,3-4,7-10H2,1-2H3/t11?,12?,13-,14-,16+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
11-KETO-4,5-DIHYDRO-3,16.ALPHA.-DIHYDROXYPREDNISOLONE
Common Name English
PREGN-1-ENE-11,20-DIONE, 3,16,17,21-TETRAHYDROXY-, (16.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
1379578-69-4
Created by admin on Sat Dec 16 10:49:51 GMT 2023 , Edited by admin on Sat Dec 16 10:49:51 GMT 2023
PRIMARY
FDA UNII
XVV1YX4V1J
Created by admin on Sat Dec 16 10:49:51 GMT 2023 , Edited by admin on Sat Dec 16 10:49:51 GMT 2023
PRIMARY
PUBCHEM
91810682
Created by admin on Sat Dec 16 10:49:51 GMT 2023 , Edited by admin on Sat Dec 16 10:49:51 GMT 2023
PRIMARY