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

Details

Stereochemistry ABSOLUTE
Molecular Formula C46H80O2
Molecular Weight 665.1262
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CAMPESTERYL OLEATE

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/CCCCCCCC)[C@H](C)CC[C@@H](C)C(C)C

InChI

InChIKey=PBJGXWXGARTUCF-TVTZIXCTSA-N
InChI=1S/C46H80O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h15-16,26,35-37,39-43H,8-14,17-25,27-34H2,1-7H3/b16-15-/t36-,37-,39+,40+,41-,42+,43+,45+,46-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CAMPESTERYL OLEATE
Common Name English
ERGOST-5-EN-3-OL, 3-((9Z)-9-OCTADECENOATE), (3.BETA.,24R)-
Systematic Name English
Code System Code Type Description
FDA UNII
N67NFU75QY
Created by admin on Sat Dec 16 15:19:13 GMT 2023 , Edited by admin on Sat Dec 16 15:19:13 GMT 2023
PRIMARY
CAS
64144-49-6
Created by admin on Sat Dec 16 15:19:13 GMT 2023 , Edited by admin on Sat Dec 16 15:19:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID501315986
Created by admin on Sat Dec 16 15:19:13 GMT 2023 , Edited by admin on Sat Dec 16 15:19:13 GMT 2023
PRIMARY
PUBCHEM
69167708
Created by admin on Sat Dec 16 15:19:13 GMT 2023 , Edited by admin on Sat Dec 16 15:19:13 GMT 2023
PRIMARY