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Details

Stereochemistry ABSOLUTE
Molecular Formula C49H88O2
Molecular Weight 709.2218
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLESTERYL BEHENATE

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

InChI

InChIKey=WBOQXYUYHINMOC-FTAWAYKBSA-N
InChI=1S/C49H88O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h30,39-40,42-46H,7-29,31-38H2,1-6H3/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1

HIDE SMILES / InChI

Molecular Formula C49H88O2
Molecular Weight 709.2218
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 Sat Dec 16 06:02:30 GMT 2023
Edited
by admin
on Sat Dec 16 06:02:30 GMT 2023
Record UNII
H15EQJ092L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLESTERYL BEHENATE
Common Name English
CHOLESTEROL, DOCOSANOATE
Common Name English
CHOLEST-5-EN-3-OL(3.BETA.)-, DOCOSANOATE
Common Name English
CHOLEST-5-EN-3-OL (3.BETA.)-, DOCOSANOATE
Common Name English
CHOLESTERYL DOCOSANOATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20210508
Created by admin on Sat Dec 16 06:02:30 GMT 2023 , Edited by admin on Sat Dec 16 06:02:30 GMT 2023
PRIMARY
CAS
61510-09-6
Created by admin on Sat Dec 16 06:02:30 GMT 2023 , Edited by admin on Sat Dec 16 06:02:30 GMT 2023
PRIMARY
CHEBI
84352
Created by admin on Sat Dec 16 06:02:30 GMT 2023 , Edited by admin on Sat Dec 16 06:02:30 GMT 2023
PRIMARY
PUBCHEM
16061339
Created by admin on Sat Dec 16 06:02:30 GMT 2023 , Edited by admin on Sat Dec 16 06:02:30 GMT 2023
PRIMARY
FDA UNII
H15EQJ092L
Created by admin on Sat Dec 16 06:02:30 GMT 2023 , Edited by admin on Sat Dec 16 06:02:30 GMT 2023
PRIMARY