4-Pregnene-17?,19,21-triol-3,20-dione

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H30O5
Molecular Weight	362.4599
Optical Activity	( + )
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Pregnene-17?,19,21-triol-3,20-dione

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CC[C@]2(O)C(=O)CO

InChI

InChIKey=JEHPZILSNSOOQZ-IZTFOULLSA-N

InChI=1S/C21H30O5/c1-19-7-5-17-15(16(19)6-9-21(19,26)18(25)11-22)3-2-13-10-14(24)4-8-20(13,17)12-23/h10,15-17,22-23,26H,2-9,11-12H2,1H3/t15-,16-,17-,19-,20+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H30O5
Molecular Weight	362.4599
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 21:55:17 GMT 2025` Edited by `admin` on `Mon Mar 31 21:55:17 GMT 2025`
Record UNII	WR99YG9GNV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Pregnene-17?,19,21-triol-3,20-dione

Systematic Name

English

19-Hydroxy-11-deoxycortisol

Preferred Name

English

17,19,21-Trihydroxypregn-4-ene-3,20-dione

Systematic Name

English

PREGN-4-ENE-3,20-DIONE, 17,19,21-TRIHYDROXY-

Systematic Name

English

(8R,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Systematic Name

English

Code System Code Type Description

PUBCHEM

200139

Created by admin on Mon Mar 31 21:55:17 GMT 2025 , Edited by admin on Mon Mar 31 21:55:17 GMT 2025

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FDA UNII

WR99YG9GNV

Created by admin on Mon Mar 31 21:55:17 GMT 2025 , Edited by admin on Mon Mar 31 21:55:17 GMT 2025

PRIMARY

CAS

510-65-6

Created by admin on Mon Mar 31 21:55:17 GMT 2025 , Edited by admin on Mon Mar 31 21:55:17 GMT 2025

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EPA CompTox

DTXSID20965283

Created by admin on Mon Mar 31 21:55:17 GMT 2025 , Edited by admin on Mon Mar 31 21:55:17 GMT 2025

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