Pregna-4,6-diene-3,11,20-trione

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H26O3
Molecular Weight	326.4293
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Pregna-4,6-diene-3,11,20-trione

Structure Search

SMILES

CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C

InChI

InChIKey=LPJAFNVSXMTJMN-DADBAOPHSA-N

InChI=1S/C21H26O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h4-5,10,15-17,19H,6-9,11H2,1-3H3/t15-,16+,17-,19+,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H26O3
Molecular Weight	326.4293
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:24:13 GMT 2025` Edited by `admin` on `Mon Mar 31 23:24:13 GMT 2025`
Record UNII	9ESK932JHD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pregna-4,6-diene-3,11,20-trione

Preferred Name

English

Code System Code Type Description

PUBCHEM

210156

Created by admin on Mon Mar 31 23:24:13 GMT 2025 , Edited by admin on Mon Mar 31 23:24:13 GMT 2025

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FDA UNII

9ESK932JHD

Created by admin on Mon Mar 31 23:24:13 GMT 2025 , Edited by admin on Mon Mar 31 23:24:13 GMT 2025

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EPA CompTox

DTXSID10943373

Created by admin on Mon Mar 31 23:24:13 GMT 2025 , Edited by admin on Mon Mar 31 23:24:13 GMT 2025

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CAS

21063-91-2

Created by admin on Mon Mar 31 23:24:13 GMT 2025 , Edited by admin on Mon Mar 31 23:24:13 GMT 2025

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