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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O5
Molecular Weight 362.4599
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-DIHYDROPREDNISOLONE, (5.BETA.)-

SMILES

[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])CC[C@]4([H])CC(=O)C=C[C@]34C

InChI

InChIKey=NHVKTAGIUONXJA-AIPUTVCKSA-N
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,12,14-16,18,22,24,26H,3-4,6,8-11H2,1-2H3/t12-,14+,15+,16+,18-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H30O5
Molecular Weight 362.4599
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:55:03 GMT 2023
Edited
by admin
on Sat Dec 16 10:55:03 GMT 2023
Record UNII
IKA642OBNA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-DIHYDROPREDNISOLONE, (5.BETA.)-
Common Name English
5.BETA.-PREGN-1-ENE-3,20-DIONE, 11.BETA.,17,21-TRIHYDROXY-
Systematic Name English
PREGN-1-ENE-3,20-DIONE, 11,17,21-TRIHYDROXY-, (5.BETA.,11.BETA.)-
Systematic Name English
NSC-15471
Code English
Code System Code Type Description
FDA UNII
IKA642OBNA
Created by admin on Sat Dec 16 10:55:03 GMT 2023 , Edited by admin on Sat Dec 16 10:55:03 GMT 2023
PRIMARY
CAS
566-34-7
Created by admin on Sat Dec 16 10:55:03 GMT 2023 , Edited by admin on Sat Dec 16 10:55:03 GMT 2023
PRIMARY
CAS
103957-07-9
Created by admin on Sat Dec 16 10:55:03 GMT 2023 , Edited by admin on Sat Dec 16 10:55:03 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
225754
Created by admin on Sat Dec 16 10:55:03 GMT 2023 , Edited by admin on Sat Dec 16 10:55:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID10276052
Created by admin on Sat Dec 16 10:55:03 GMT 2023 , Edited by admin on Sat Dec 16 10:55:03 GMT 2023
PRIMARY
NSC
15471
Created by admin on Sat Dec 16 10:55:03 GMT 2023 , Edited by admin on Sat Dec 16 10:55:03 GMT 2023
PRIMARY