20-(Acetyloxy)-11-hydroxy-3-oxopregna-1,4,17(20)-trien-21-al, (11?,17Z)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28O5
Molecular Weight	384.4654
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 20-(Acetyloxy)-11-hydroxy-3-oxopregna-1,4,17(20)-trien-21-al, (11?,17Z)-

Structure Search

SMILES

CC(=O)O\C(C=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=XRKYIGLPYQFMMT-OJGNYEGDSA-N

InChI=1S/C23H28O5/c1-13(25)28-20(12-24)18-7-6-17-16-5-4-14-10-15(26)8-9-22(14,2)21(16)19(27)11-23(17,18)3/h8-10,12,16-17,19,21,27H,4-7,11H2,1-3H3/b20-18-/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	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:44:21 GMT 2025` Edited by `admin` on `Wed Apr 02 17:44:21 GMT 2025`
Record UNII	C7VBT84SJ5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

20-(Acetyloxy)-11-hydroxy-3-oxopregna-1,4,17(20)-trien-21-al, (11?,17Z)-

Systematic Name

English

(11?,17Z)-20-(Acetyloxy)-11-hydroxy-3-oxopregna-1,4,17(20)-trien-21-al

Preferred Name

English

Pregna-1,4,17(20)-trien-21-al, 20-(acetyloxy)-11-hydroxy-3-oxo-, (11?,17Z)-

Systematic Name

English

Code System Code Type Description

FDA UNII

C7VBT84SJ5

Created by admin on Wed Apr 02 17:44:21 GMT 2025 , Edited by admin on Wed Apr 02 17:44:21 GMT 2025

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PUBCHEM

14261046

Created by admin on Wed Apr 02 17:44:21 GMT 2025 , Edited by admin on Wed Apr 02 17:44:21 GMT 2025

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CAS

118866-09-4

Created by admin on Wed Apr 02 17:44:21 GMT 2025 , Edited by admin on Wed Apr 02 17:44:21 GMT 2025

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