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

Structure Search

SMILES

[H][C@@]12CC\C(=C(\OC(C)=O)C=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

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 `Sat Dec 16 19:55:22 GMT 2023` Edited by `admin` on `Sat Dec 16 19:55:22 GMT 2023`
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, (11β,17Z)-

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

C7VBT84SJ5

Created by admin on Sat Dec 16 19:55:22 GMT 2023 , Edited by admin on Sat Dec 16 19:55:22 GMT 2023

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CAS

118866-09-4

Created by admin on Sat Dec 16 19:55:22 GMT 2023 , Edited by admin on Sat Dec 16 19:55:22 GMT 2023

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