(11?)-21-(Acetyloxy)-9-bromo-11-hydroxypregna-1,4,16-triene-3,20-dione

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H27BrO5
Molecular Weight	463.361
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (11?)-21-(Acetyloxy)-9-bromo-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@@]3(Br)[C@@H](O)C[C@]12C

InChI

InChIKey=QGQTXQCKUYGDSH-XYNXPQAZSA-N

InChI=1S/C23H27BrO5/c1-13(25)29-12-19(27)18-7-6-16-17-5-4-14-10-15(26)8-9-22(14,3)23(17,24)20(28)11-21(16,18)2/h7-10,16-17,20,28H,4-6,11-12H2,1-3H3/t16-,17-,20-,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H27BrO5
Molecular Weight	463.361
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 19:46:25 GMT 2025` Edited by `admin` on `Wed Apr 02 19:46:25 GMT 2025`
Record UNII	FGE6MT687F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pregna-1,4,16-triene-3,20-dione, 21-(acetyloxy)-9-bromo-11-hydroxy-, (11?)-

Preferred Name

English

(11?)-21-(Acetyloxy)-9-bromo-11-hydroxypregna-1,4,16-triene-3,20-dione

Systematic Name

English

Code System Code Type Description

FDA UNII

FGE6MT687F

Created by admin on Wed Apr 02 19:46:25 GMT 2025 , Edited by admin on Wed Apr 02 19:46:25 GMT 2025

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CAS

131711-17-6

Created by admin on Wed Apr 02 19:46:25 GMT 2025 , Edited by admin on Wed Apr 02 19:46:25 GMT 2025

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