11-KETO-4,5-DIHYDRO-3,16.ALPHA.-DIHYDROXYPREDNISOLONE

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

Structure Search

SMILES

C[C@]12CC(=O)[C@H]3[C@@H](CCC4CC(O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(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

PREGN-1-ENE-11,20-DIONE, 3,16,17,21-TETRAHYDROXY-, (16.ALPHA.)-

Preferred Name

English

11-KETO-4,5-DIHYDRO-3,16.ALPHA.-DIHYDROXYPREDNISOLONE

Common Name

English

Code System Code Type Description

CAS

1379578-69-4

Created by admin on Mon Mar 31 23:27:43 GMT 2025 , Edited by admin on Mon Mar 31 23:27:43 GMT 2025

PRIMARY

FDA UNII

XVV1YX4V1J

Created by admin on Mon Mar 31 23:27:43 GMT 2025 , Edited by admin on Mon Mar 31 23:27:43 GMT 2025

PRIMARY

PUBCHEM

91810682

Created by admin on Mon Mar 31 23:27:43 GMT 2025 , Edited by admin on Mon Mar 31 23:27:43 GMT 2025

PRIMARY

PARENT (METABOLITE)


					Q3OKS62Q6X

Budesonide

SUBSTANCE RECORD


					XVV1YX4V1J

11-KETO-4,5-DIHYDRO-3,16.ALPHA.-DIHYDROXYPREDNISOLONE