21-(Acetyloxy)-9-bromo-11-(formyloxy)-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione, (11?,16?)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H31BrO7
Molecular Weight	523.413
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 21-(Acetyloxy)-9-bromo-11-(formyloxy)-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione, (11?,16?)-

Structure Search

SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@H](C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O)OC=O

InChI

InChIKey=RNRGHMHDVGMZFQ-BZOWXGELSA-N

InChI=1S/C25H31BrO7/c1-14-9-19-18-6-5-16-10-17(29)7-8-22(16,3)24(18,26)21(33-13-27)11-23(19,4)25(14,31)20(30)12-32-15(2)28/h7-8,10,13-14,18-19,21,31H,5-6,9,11-12H2,1-4H3/t14-,18+,19+,21+,22+,23+,24+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H31BrO7
Molecular Weight	523.413
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:55:21 GMT 2025` Edited by `admin` on `Wed Apr 02 19:55:21 GMT 2025`
Record UNII	PXY59A449P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

21-(Acetyloxy)-9-bromo-11-(formyloxy)-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione, (11?,16?)-

Systematic Name

English

(11?,16?)-21-(Acetyloxy)-9-bromo-11-(formyloxy)-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione

Preferred Name

English

[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Bromo-11-formyloxy-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Systematic Name

English

Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-bromo-11-(formyloxy)-17-hydroxy-16-methyl-, (11?,16?)-

Systematic Name

English

Code System Code Type Description

FDA UNII

PXY59A449P

Created by admin on Wed Apr 02 19:55:21 GMT 2025 , Edited by admin on Wed Apr 02 19:55:21 GMT 2025

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PUBCHEM

21632673

Created by admin on Wed Apr 02 19:55:21 GMT 2025 , Edited by admin on Wed Apr 02 19:55:21 GMT 2025

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CAS

1564242-54-1

Created by admin on Wed Apr 02 19:55:21 GMT 2025 , Edited by admin on Wed Apr 02 19:55:21 GMT 2025

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