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

Details

Stereochemistry ABSOLUTE
Molecular Formula C43H74O2
Molecular Weight 623.0465
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CHOLESTERYL PALMITOLEATE

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC\C=C/CCCCCC)[C@H](C)CCCC(C)C

InChI

InChIKey=HODJWNWCVNUPAQ-XDOSKZMUSA-N
InChI=1S/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12-/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1

HIDE SMILES / InChI

Molecular Formula C43H74O2
Molecular Weight 623.0465
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:47:29 GMT 2023
Edited
by admin
on Sat Dec 16 12:47:29 GMT 2023
Record UNII
132TTN4QMV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLESTERYL PALMITOLEATE
Common Name English
CHOLESTEROL, 9-HEXADECENOATE
Systematic Name English
CHOLESTERYL CIS-HEXADECENOATE
Common Name English
CHOLEST-5-EN-3-OL (3.BETA.)-, 3-((9Z)-9-HEXADECENOATE)
Systematic Name English
CHOLEST-5-EN-3-OL (3.BETA.)-, 9-HEXADECENOATE
Systematic Name English
CHOLEST-5-EN-3-OL (3.BETA.)-, 3-(9-HEXADECENOATE)
Systematic Name English
CHOLESTEROL PALMITOLEATE
Common Name English
Code System Code Type Description
PUBCHEM
13828666
Created by admin on Sat Dec 16 12:47:29 GMT 2023 , Edited by admin on Sat Dec 16 12:47:29 GMT 2023
PRIMARY
FDA UNII
132TTN4QMV
Created by admin on Sat Dec 16 12:47:29 GMT 2023 , Edited by admin on Sat Dec 16 12:47:29 GMT 2023
PRIMARY
CAS
16711-66-3
Created by admin on Sat Dec 16 12:47:29 GMT 2023 , Edited by admin on Sat Dec 16 12:47:29 GMT 2023
PRIMARY
CAS
1797-71-3
Created by admin on Sat Dec 16 12:47:29 GMT 2023 , Edited by admin on Sat Dec 16 12:47:29 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID801312800
Created by admin on Sat Dec 16 12:47:29 GMT 2023 , Edited by admin on Sat Dec 16 12:47:29 GMT 2023
PRIMARY