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Details

Stereochemistry ABSOLUTE
Molecular Formula C55H100O2
Molecular Weight 793.3813
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLESTERYL OCTACOSANOATE

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)CCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@H](C)CCCC(C)C

InChI

InChIKey=ICJYPFVUDXYXSF-REVLISNJSA-N
InChI=1S/C55H100O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-35-53(56)57-48-40-42-54(5)47(44-48)36-37-49-51-39-38-50(46(4)34-32-33-45(2)3)55(51,6)43-41-52(49)54/h36,45-46,48-52H,7-35,37-44H2,1-6H3/t46-,48+,49+,50-,51+,52+,54+,55-/m1/s1

HIDE SMILES / InChI

Molecular Formula C55H100O2
Molecular Weight 793.3813
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:32:52 GMT 2023
Edited
by admin
on Fri Dec 15 18:32:52 GMT 2023
Record UNII
286O0KCC1D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLESTERYL OCTACOSANOATE
Common Name English
CHOLEST-5-EN-3-OL (3.BETA.)-, 3-OCTACOSANOATE
Common Name English
Code System Code Type Description
PUBCHEM
71587322
Created by admin on Fri Dec 15 18:32:52 GMT 2023 , Edited by admin on Fri Dec 15 18:32:52 GMT 2023
PRIMARY
CAS
87080-59-9
Created by admin on Fri Dec 15 18:32:52 GMT 2023 , Edited by admin on Fri Dec 15 18:32:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID30236118
Created by admin on Fri Dec 15 18:32:52 GMT 2023 , Edited by admin on Fri Dec 15 18:32:52 GMT 2023
PRIMARY
FDA UNII
286O0KCC1D
Created by admin on Fri Dec 15 18:32:52 GMT 2023 , Edited by admin on Fri Dec 15 18:32:52 GMT 2023
PRIMARY