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

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

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 `Sat Dec 16 05:17:35 GMT 2023` Edited by `admin` on `Sat Dec 16 05:17:35 GMT 2023`
Record UNII	782BF6Q44B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

NSC-79098

Code

English

Code System Code Type Description

CAS

10417-86-4