2-((3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-1,3-propanediyl docosanoate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C57H100O8
Molecular Weight	913.3991
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-((3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-1,3-propanediyl docosanoate

Structure Search

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)\C=C\C1=CC(OC)=C(O)C=C1

InChI

InChIKey=HQKOKDBCUSEPCE-LIIAXHHNSA-N

InChI=1S/C57H100O8/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-55(59)63-49-52(65-57(61)47-45-51-44-46-53(58)54(48-51)62-3)50-64-56(60)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h44-48,52,58H,4-43,49-50H2,1-3H3/b47-45+

HIDE SMILES / InChI

Molecular Formula	C57H100O8
Molecular Weight	913.3991
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:57:07 GMT 2025` Edited by `admin` on `Tue Apr 01 19:57:07 GMT 2025`
Record UNII	YU2FR9C3G4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-332563

Preferred Name

English

2-((3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-1,3-propanediyl docosanoate

Systematic Name

English

DOCOSANOIC ACID, 2-((3-(4-HYDROXY-3-METHOXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,3-PROPANEDIYL ESTER

Common Name

English

Code System Code Type Description

NSC

332563

Created by admin on Tue Apr 01 19:57:07 GMT 2025 , Edited by admin on Tue Apr 01 19:57:07 GMT 2025

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PUBCHEM

5988101

Created by admin on Tue Apr 01 19:57:07 GMT 2025 , Edited by admin on Tue Apr 01 19:57:07 GMT 2025

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CAS

80324-81-8

Created by admin on Tue Apr 01 19:57:07 GMT 2025 , Edited by admin on Tue Apr 01 19:57:07 GMT 2025

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FDA UNII

YU2FR9C3G4

Created by admin on Tue Apr 01 19:57:07 GMT 2025 , Edited by admin on Tue Apr 01 19:57:07 GMT 2025

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