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

Details

Stereochemistry ABSOLUTE
Molecular Formula C53H96O2
Molecular Weight 765.3281
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLESTERYL HEXACOSANOATE

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

InChI

InChIKey=VQRZNVBRVZSWSB-GEBOYSNOSA-N
InChI=1S/C53H96O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-51(54)55-46-38-40-52(5)45(42-46)34-35-47-49-37-36-48(44(4)32-30-31-43(2)3)53(49,6)41-39-50(47)52/h34,43-44,46-50H,7-33,35-42H2,1-6H3/t44-,46+,47+,48-,49+,50+,52+,53-/m1/s1

HIDE SMILES / InChI

Molecular Formula C53H96O2
Molecular Weight 765.3281
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:35:53 GMT 2023
Edited
by admin
on Fri Dec 15 18:35:53 GMT 2023
Record UNII
U39YDK81FP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLESTERYL HEXACOSANOATE
Common Name English
CHOLEST-5-EN-3-OL (3.BETA.)-, 3-HEXACOSANOATE
Common Name English
CHOLEST-5-EN-3-OL (3.BETA.)-, HEXACOSANOATE
Common Name English
Code System Code Type Description
PUBCHEM
71587321
Created by admin on Fri Dec 15 18:35:53 GMT 2023 , Edited by admin on Fri Dec 15 18:35:53 GMT 2023
PRIMARY
FDA UNII
U39YDK81FP
Created by admin on Fri Dec 15 18:35:53 GMT 2023 , Edited by admin on Fri Dec 15 18:35:53 GMT 2023
PRIMARY
CAS
87080-57-7
Created by admin on Fri Dec 15 18:35:53 GMT 2023 , Edited by admin on Fri Dec 15 18:35:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID70236117
Created by admin on Fri Dec 15 18:35:53 GMT 2023 , Edited by admin on Fri Dec 15 18:35:53 GMT 2023
PRIMARY