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

Details

Stereochemistry ACHIRAL
Molecular Formula C27H54O2
Molecular Weight 410.7165
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STEARYL ISONONANOATE

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CC(C)CC(C)(C)C

InChI

InChIKey=IRPUQPOQLCBARJ-UHFFFAOYSA-N
InChI=1S/C27H54O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-26(28)23-25(2)24-27(3,4)5/h25H,6-24H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C27H54O2
Molecular Weight 410.7165
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:36:09 GMT 2025
Edited
by admin
on Mon Mar 31 18:36:09 GMT 2025
Record UNII
NE3W7V54X8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STEARYL ISONONANOATE
Systematic Name English
ISONONANOIC ACID, OCTADECYL ESTER
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID501005171
Created by admin on Mon Mar 31 18:36:09 GMT 2025 , Edited by admin on Mon Mar 31 18:36:09 GMT 2025
PRIMARY
FDA UNII
NE3W7V54X8
Created by admin on Mon Mar 31 18:36:09 GMT 2025 , Edited by admin on Mon Mar 31 18:36:09 GMT 2025
PRIMARY
CAS
84878-34-2
Created by admin on Mon Mar 31 18:36:09 GMT 2025 , Edited by admin on Mon Mar 31 18:36:09 GMT 2025
PRIMARY
PUBCHEM
72941613
Created by admin on Mon Mar 31 18:36:09 GMT 2025 , Edited by admin on Mon Mar 31 18:36:09 GMT 2025
PRIMARY