11-KETO-4,5-DIHYDRO-16.ALPHA.-HYDROXYPREDNISOLONE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C21H28O6
Molecular Weight	376.4434
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 11-KETO-4,5-DIHYDRO-16.ALPHA.-HYDROXYPREDNISOLONE

Structure Search

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=WWLLMNXYCKUZRA-NSDDOYDMSA-N

InChI=1S/C21H28O6/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/h5-6,11,13-14,16,18,22,25,27H,3-4,7-10H2,1-2H3/t11?,13-,14-,16+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H28O6
Molecular Weight	376.4434
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:48:46 UTC 2023` Edited by `admin` on `Sat Dec 16 10:48:46 UTC 2023`
Record UNII	NL05H28ZJM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

11-KETO-4,5-DIHYDRO-16.ALPHA.-HYDROXYPREDNISOLONE

Common Name

English

PREGN-1-ENE-3,11,20-TRIONE, 16,17,21-TRIHYDROXY-, (16.ALPHA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

NL05H28ZJM

Created by admin on Sat Dec 16 10:48:46 UTC 2023 , Edited by admin on Sat Dec 16 10:48:46 UTC 2023

PRIMARY

CAS

1379578-68-3

Created by admin on Sat Dec 16 10:48:46 UTC 2023 , Edited by admin on Sat Dec 16 10:48:46 UTC 2023

PRIMARY

PUBCHEM

91810681

Created by admin on Sat Dec 16 10:48:46 UTC 2023 , Edited by admin on Sat Dec 16 10:48:46 UTC 2023

PRIMARY

Related Record Type Details


					Q3OKS62Q6X

BUDESONIDE

PARENT -> METABOLITE

Comments:

Catalyzed by two enzymes, the 4-ene-5.BETA.-reductase and the 4-ene-5.ALPHA.-reductase

Interaction Type:

MINOR

Qualification:

URINE