16.ALPHA.,20-DIHYDROXYPREDNISOLONE, (20R)-

Details

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

SHOW SMILES / InChI

Structure of 16.ALPHA.,20-DIHYDROXYPREDNISOLONE, (20R)-

Structure Search

SMILES

[H][C@@]1(O)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]2(C)[C@@]1(O)[C@H](O)CO

InChI

InChIKey=NSAMWGIJBKAFLB-USSSXZFTSA-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/h5-7,13-18,22,24-27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,17+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H30O6
Molecular Weight	378.4593
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:33:26 UTC 2023` Edited by `admin` on `Sat Dec 16 09:33:26 UTC 2023`
Record UNII	7OTJ8V5GID
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

16.ALPHA.,20-DIHYDROXYPREDNISOLONE, (20R)-

Common Name

English

PREGNA-1,4-DIEN-3-ONE, 11,16,17,20,21-PENTAHYDROXY-, (11.BETA.,16.ALPHA.,20R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

7OTJ8V5GID

Created by admin on Sat Dec 16 09:33:26 UTC 2023 , Edited by admin on Sat Dec 16 09:33:26 UTC 2023

PRIMARY

CAS

1379578-66-1

Created by admin on Sat Dec 16 09:33:26 UTC 2023 , Edited by admin on Sat Dec 16 09:33:26 UTC 2023

PRIMARY

PUBCHEM

91810679

Created by admin on Sat Dec 16 09:33:26 UTC 2023 , Edited by admin on Sat Dec 16 09:33:26 UTC 2023

PRIMARY

Related Record Type Details


					Q3OKS62Q6X

BUDESONIDE

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

URINE