4,5-DIHYDROPREDNISONE, (5.BETA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H28O5
Molecular Weight	360.444
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,5-DIHYDROPREDNISONE, (5.BETA.)-

Structure Search

SMILES

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

InChI

InChIKey=XGRPDOONUXQWRT-FNLRALKVSA-N

InChI=1S/C21H28O5/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/h5,7,12,14-15,18,22,26H,3-4,6,8-11H2,1-2H3/t12-,14+,15+,18-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H28O5
Molecular Weight	360.444
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:55:02 GMT 2023` Edited by `admin` on `Sat Dec 16 10:55:02 GMT 2023`
Record UNII	ESG3A6MQJ0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,5-DIHYDROPREDNISONE, (5.BETA.)-

Common Name

English

PREGN-1-ENE-3,11,20-TRIONE, 17,21-DIHYDROXY-, (5.BETA.)-

Systematic Name

English

17,21-DIHYDROXY-5.BETA.-PREGN-1-ENE-3,11,20-TRIONE

Systematic Name

English

.DELTA.1-5.BETA.-PREGNEN-17.ALPHA.,21-DIOL-3,11,20-TRIONE

Systematic Name

English

Code System Code Type Description

CAS

17736-16-2

Created by admin on Sat Dec 16 10:55:02 GMT 2023 , Edited by admin on Sat Dec 16 10:55:02 GMT 2023

PRIMARY

CAS

103957-08-0

Created by admin on Sat Dec 16 10:55:02 GMT 2023 , Edited by admin on Sat Dec 16 10:55:02 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

91810503

Created by admin on Sat Dec 16 10:55:02 GMT 2023 , Edited by admin on Sat Dec 16 10:55:02 GMT 2023

PRIMARY

FDA UNII

ESG3A6MQJ0

Created by admin on Sat Dec 16 10:55:02 GMT 2023 , Edited by admin on Sat Dec 16 10:55:02 GMT 2023

PRIMARY