1,3-GLYCEROL DIERUCATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C47H88O5
Molecular Weight	733.1986
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC

InChI

InChIKey=CBTMTZFHKUDGSX-CLFAGFIQSA-N

InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3/b19-17-,20-18-

HIDE SMILES / InChI

Molecular Formula	C47H88O5
Molecular Weight	733.1986
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:40:14 GMT 2025` Edited by `admin` on `Tue Apr 01 16:40:14 GMT 2025`
Record UNII	U68A80CA2E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-DIERUCIN

Preferred Name

English

1,3-GLYCEROL DIERUCATE

Common Name

English

13-DOCOSENOIC ACID, 2-HYDROXY-1,3-PROPANEDIYL ESTER, (13Z,13'Z)-

Systematic Name

English

13-DOCOSENOIC ACID, 1,1'-(2-HYDROXY-1,3-PROPANEDIYL) ESTER, (13Z,13'Z)-

Systematic Name

English

Code System Code Type Description

FDA UNII

U68A80CA2E

Created by admin on Tue Apr 01 16:40:14 GMT 2025 , Edited by admin on Tue Apr 01 16:40:14 GMT 2025

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PUBCHEM

16219247

Created by admin on Tue Apr 01 16:40:14 GMT 2025 , Edited by admin on Tue Apr 01 16:40:14 GMT 2025

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EPA CompTox

DTXSID50585130

Created by admin on Tue Apr 01 16:40:14 GMT 2025 , Edited by admin on Tue Apr 01 16:40:14 GMT 2025

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CAS

128389-74-2

Created by admin on Tue Apr 01 16:40:14 GMT 2025 , Edited by admin on Tue Apr 01 16:40:14 GMT 2025

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