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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H29BrO7
Molecular Weight	497.376
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]12C

InChI

InChIKey=LTRVYEKAPGRFOX-QZUYBKCWSA-N

InChI=1S/C23H29BrO7/c1-12(25)31-11-19(29)23(30)17(27)9-16-15-5-4-13-8-14(26)6-7-20(13,2)22(15,24)18(28)10-21(16,23)3/h6-8,15-18,27-28,30H,4-5,9-11H2,1-3H3/t15-,16-,17+,18-,20-,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H29BrO7
Molecular Weight	497.376
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 21:17:50 GMT 2025` Edited by `admin` on `Wed Apr 02 21:17:50 GMT 2025`
Record UNII	8L4WB2N89A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

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

Preferred Name

English

[2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-Bromo-11,16,17-trihydroxy-10,13-dimethyl-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-11,16,17-trihydroxy-, (11?,16?)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

15231820

Created by admin on Wed Apr 02 21:17:50 GMT 2025 , Edited by admin on Wed Apr 02 21:17:50 GMT 2025

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FDA UNII

8L4WB2N89A

Created by admin on Wed Apr 02 21:17:50 GMT 2025 , Edited by admin on Wed Apr 02 21:17:50 GMT 2025

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CAS

91160-89-3

Created by admin on Wed Apr 02 21:17:50 GMT 2025 , Edited by admin on Wed Apr 02 21:17:50 GMT 2025

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