PENTAERYTHRITYL TRIHEPTANOATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H48O7
Molecular Weight	472.6551
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PENTAERYTHRITYL TRIHEPTANOATE

Structure Search

SMILES

CCCCCCC(=O)OCC(CO)(COC(=O)CCCCCC)COC(=O)CCCCCC

InChI

InChIKey=BXKGEHTYSZRXRV-UHFFFAOYSA-N

InChI=1S/C26H48O7/c1-4-7-10-13-16-23(28)31-20-26(19-27,21-32-24(29)17-14-11-8-5-2)22-33-25(30)18-15-12-9-6-3/h27H,4-22H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C26H48O7
Molecular Weight	472.6551
Charge	0
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 `Mon Mar 31 22:08:14 GMT 2025` Edited by `admin` on `Mon Mar 31 22:08:14 GMT 2025`
Record UNII	A3F1C7V55H
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PENTAERYTHRITYL TRIHEPTANOATE

Common Name

English

HEPTANOIC ACID, 1,1'-(2-(HYDROXYMETHYL)-2-(((1-OXOHEPTYL)OXY)METHYL)-1,3-PROPANEDIYL) ESTER

Preferred Name

English

PENTAERYTHRITOL TRIHEPTANOATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

92035

Created by admin on Mon Mar 31 22:08:14 GMT 2025 , Edited by admin on Mon Mar 31 22:08:14 GMT 2025

PRIMARY

FDA UNII

A3F1C7V55H

Created by admin on Mon Mar 31 22:08:14 GMT 2025 , Edited by admin on Mon Mar 31 22:08:14 GMT 2025

PRIMARY

EPA CompTox

DTXSID10204693

Created by admin on Mon Mar 31 22:08:14 GMT 2025 , Edited by admin on Mon Mar 31 22:08:14 GMT 2025

PRIMARY

ECHA (EC/EINECS)

260-026-5

Created by admin on Mon Mar 31 22:08:14 GMT 2025 , Edited by admin on Mon Mar 31 22:08:14 GMT 2025

PRIMARY

CAS

56158-58-8

Created by admin on Mon Mar 31 22:08:14 GMT 2025 , Edited by admin on Mon Mar 31 22:08:14 GMT 2025

PRIMARY