U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H42O4
Molecular Weight 358.5558
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLYCERYL 2-ISOSTEARATE

SMILES

CC(C)CCCCCCCCCCCCCCC(=O)OC(CO)CO

InChI

InChIKey=MQXVQTFGCRTCRG-UHFFFAOYSA-N
InChI=1S/C21H42O4/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(24)25-20(17-22)18-23/h19-20,22-23H,3-18H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C21H42O4
Molecular Weight 358.5558
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 23:15:15 GMT 2025
Edited
by admin
on Mon Mar 31 23:15:15 GMT 2025
Record UNII
X6H4WH8NA6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLYCERYL 2-ISOSTEARATE
Common Name English
.BETA.-MONOISOSTEARIN
Preferred Name English
HEPTADECANOIC ACID, 16-METHYL-, 2-HYDROXY-1-(HYDROXYMETHYL)ETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
X6H4WH8NA6
Created by admin on Mon Mar 31 23:15:15 GMT 2025 , Edited by admin on Mon Mar 31 23:15:15 GMT 2025
PRIMARY
PUBCHEM
3034481
Created by admin on Mon Mar 31 23:15:15 GMT 2025 , Edited by admin on Mon Mar 31 23:15:15 GMT 2025
PRIMARY
CAS
57361-83-8
Created by admin on Mon Mar 31 23:15:15 GMT 2025 , Edited by admin on Mon Mar 31 23:15:15 GMT 2025
MAJOR COMPONENT STRUCTURE/SEQUENCE