21-HYDROXY-5.BETA.-PREGNANE-3,11,20-TRIONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H30O4
Molecular Weight	346.4605
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 21-HYDROXY-5.BETA.-PREGNANE-3,11,20-TRIONE

Structure Search

SMILES

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

InChI

InChIKey=ZDUVZJUTJOBJHS-XYEQKYNMSA-N

InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-16,19,22H,3-11H2,1-2H3/t12-,14+,15+,16-,19-,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H30O4
Molecular Weight	346.4605
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 `Mon Mar 31 21:28:38 GMT 2025` Edited by `admin` on `Mon Mar 31 21:28:38 GMT 2025`
Record UNII	782BF6Q44B
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-79098

Preferred Name

English

21-HYDROXY-5.BETA.-PREGNANE-3,11,20-TRIONE

Systematic Name

English

5.BETA.-PREGNANE-3,11,20-TRIONE, 21-HYDROXY-

Systematic Name

English

21-HYDROXYPREGNANE-3,11,20-TRIONE, (5.BETA.)-

Systematic Name

English

5.BETA.-PREGNAN-21-OL-3,11,20-TRIONE

Common Name

English

PREGNANE-3,11,20-TRIONE, 21-HYDROXY-, (5.BETA.)-

Systematic Name

English

Code System Code Type Description

CAS

10417-86-4