7.ALPHA.,17.ALPHA.-7-HYDROXY-3-OXO-PREGNA-4,9(11)-DIENE-21-CARBOXYLIC ACID 7-((2E)-1,4-DIOXO-2-PENTEN-1-YL)-1.GAMMA.-LACTONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H32O5
Molecular Weight	436.54
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 7.ALPHA.,17.ALPHA.-7-HYDROXY-3-OXO-PREGNA-4,9(11)-DIENE-21-CARBOXYLIC ACID 7-((2E)-1,4-DIOXO-2-PENTEN-1-YL)-1.GAMMA.-LACTONE

Structure Search

SMILES

CC(=O)\C=C\C(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13

InChI

InChIKey=QNICZTZDEXXWHU-QOVXQEARSA-N

InChI=1S/C27H32O5/c1-16(28)4-5-22(30)19-15-17-14-18(29)6-10-25(17,2)20-7-11-26(3)21(24(19)20)8-12-27(26)13-9-23(31)32-27/h4-5,7,14,19,21,24H,6,8-13,15H2,1-3H3/b5-4+/t19-,21-,24+,25-,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H32O5
Molecular Weight	436.54
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 11:28:17 GMT 2025` Edited by `admin` on `Wed Apr 02 11:28:17 GMT 2025`
Record UNII	5PLG485A5R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7.ALPHA.,17.ALPHA.-7-HYDROXY-3-OXO-PREGNA-4,9(11)-DIENE-21-CARBOXYLIC ACID 7-((2E)-1,4-DIOXO-2-PENTEN-1-YL)-1.GAMMA.-LACTONE

Systematic Name

English

PREGNA-4,9(11)-DIENE-21-CARBOXYLIC ACID, 7-((2E)-1,4-DIOXO-2-PENTEN-1-YL)-17-HYDROXY-3-OXO-, .GAMMA.-LACTONE, (7.ALPHA.,17.ALPHA.)-

Preferred Name

English

Code System Code Type Description

CAS

610785-41-6

Created by admin on Wed Apr 02 11:28:17 GMT 2025 , Edited by admin on Wed Apr 02 11:28:17 GMT 2025

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FDA UNII

5PLG485A5R

Created by admin on Wed Apr 02 11:28:17 GMT 2025 , Edited by admin on Wed Apr 02 11:28:17 GMT 2025

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PUBCHEM

11568294

Created by admin on Wed Apr 02 11:28:17 GMT 2025 , Edited by admin on Wed Apr 02 11:28:17 GMT 2025

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