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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H42O5
Molecular Weight 398.5766
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-ACETO-1-OLEIN, (R)-

SMILES

CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)COC(C)=O

InChI

InChIKey=UDOOJTYHKCEVFS-GMAFFVFYSA-N
InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)28-20-22(25)19-27-21(2)24/h10-11,22,25H,3-9,12-20H2,1-2H3/b11-10-/t22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H42O5
Molecular Weight 398.5766
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:04:57 GMT 2023
Edited
by admin
on Sat Dec 16 11:04:57 GMT 2023
Record UNII
5VM3KYS1DD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ACETO-1-OLEIN, (R)-
Common Name English
3-ACETO-1-OLEIN, (+)-
Common Name English
9-OCTADECENOIC ACID (9Z)-, (2R)-3-(ACETYLOXY)-2-HYDROXYPROPYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
5VM3KYS1DD
Created by admin on Sat Dec 16 11:04:57 GMT 2023 , Edited by admin on Sat Dec 16 11:04:57 GMT 2023
PRIMARY
PUBCHEM
119025855
Created by admin on Sat Dec 16 11:04:57 GMT 2023 , Edited by admin on Sat Dec 16 11:04:57 GMT 2023
PRIMARY
CAS
1208327-61-0
Created by admin on Sat Dec 16 11:04:57 GMT 2023 , Edited by admin on Sat Dec 16 11:04:57 GMT 2023
PRIMARY