(11?)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28O5
Molecular Weight	384.4654
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (11?)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione

Structure Search

SMILES

CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C

InChI

InChIKey=ABGUZAVIFZZDDZ-MHYQPVDNSA-N

InChI=1S/C23H28O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h7-10,16-17,19,21,26H,4-6,11-12H2,1-3H3/t16-,17-,19-,21+,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H28O5
Molecular Weight	384.4654
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 `Wed Apr 02 20:31:46 GMT 2025` Edited by `admin` on `Wed Apr 02 20:31:46 GMT 2025`
Record UNII	SKC3ME9NRE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

[2-[(8s,9s,10r,11s,13s,14s)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Preferred Name

English

(11?)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione

Systematic Name

English

11?,21-Dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate

Systematic Name

English

Code System Code Type Description

FDA UNII

SKC3ME9NRE

Created by admin on Wed Apr 02 20:31:46 GMT 2025 , Edited by admin on Wed Apr 02 20:31:46 GMT 2025

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PUBCHEM

102365

Created by admin on Wed Apr 02 20:31:46 GMT 2025 , Edited by admin on Wed Apr 02 20:31:46 GMT 2025

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EPA CompTox

DTXSID20952779

Created by admin on Wed Apr 02 20:31:46 GMT 2025 , Edited by admin on Wed Apr 02 20:31:46 GMT 2025

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CAS

3044-42-6

Created by admin on Wed Apr 02 20:31:46 GMT 2025 , Edited by admin on Wed Apr 02 20:31:46 GMT 2025

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