FPL-55712

Details

Stereochemistry	RACEMIC
Molecular Formula	C27H29O9.Na
Molecular Weight	520.5035
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCCC1=C(OCC(O)COC2=CC=C3C(=O)C=C(OC3=C2CCC)C([O-])=O)C=CC(C(C)=O)=C1O

InChI

InChIKey=ZDEVPOBNLIVGFA-UHFFFAOYSA-M

InChI=1S/C27H30O9.Na/c1-4-6-19-22(10-8-17(15(3)28)25(19)31)34-13-16(29)14-35-23-11-9-18-21(30)12-24(27(32)33)36-26(18)20(23)7-5-2;/h8-12,16,29,31H,4-7,13-14H2,1-3H3,(H,32,33);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C27H29O9
Molecular Weight	497.5138
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:53:14 UTC 2023` Edited by `admin` on `Sat Dec 16 09:53:14 UTC 2023`
Record UNII	8O730GH8AL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FPL-55712

Code

English

4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 7-(3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)-2-HYDROXYPROPOXY)-4-OXO-8-PROPYL-, SODIUM SALT (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

23662025

Created by admin on Sat Dec 16 09:53:14 UTC 2023 , Edited by admin on Sat Dec 16 09:53:14 UTC 2023

PRIMARY

EPA CompTox

DTXSID00961203

Created by admin on Sat Dec 16 09:53:14 UTC 2023 , Edited by admin on Sat Dec 16 09:53:14 UTC 2023

PRIMARY

CAS

40786-08-1

Created by admin on Sat Dec 16 09:53:14 UTC 2023 , Edited by admin on Sat Dec 16 09:53:14 UTC 2023

PRIMARY

FDA UNII

8O730GH8AL

Created by admin on Sat Dec 16 09:53:14 UTC 2023 , Edited by admin on Sat Dec 16 09:53:14 UTC 2023

PRIMARY

Related Record Type Details


					8Q3M8GL2XV

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