| CAS Number | 101901-73-9 |
| Catalog Number | AG008STM(AGN-PC-0OR1MK) |
| Chemical Name | 12-Oahsa |
| IUPAC Name | 12-[(Z)-octadec-9-enoyl]oxyoctadecanoic acid |
| InChI | InChI=1S/C36H68O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-25-29-33-36(39)40-34(30-26-8-6-4-2)31-27-23-20-18-19-21-24-28-32-35(37)38/h13-14,34H,3-12,15-33H2,1-2H3,(H,37,38)/b14-13- |
| InChI Key | OCHJVQODRYVDAA-YPKPFQOOSA-N |
| Molecular Formula | C36H68O4 |
| Molecular Weight | 564.9227 |
| SMILES | OC(CCCCCCCCCCC(OC(CCCCCCC/C=CCCCCCCCC)=O)CCCCCC)=O |
| Synonyms | 12-OAHSA,
FAHFA(18:1(9Z)/12-O-18:0),
12-(9Z-octadecenoyloxy)-octadecanoic acid,
12-(oleoyloxy)stearic acid,
SCHEMBL4201633,
oleoyl-12-hydroxystearate ester,
CHEBI:137082,
LMFA07011064,
12-[(9Z)-octadecenoyloxy]octadecanoic acid,
12-{[(9Z)-octadec-9-enoyl]oxy}octadecanoic acid,
101901-73-9,
FAHFA(O-36:1),
|
| Complexity | 571 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 564.512g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 564.936g/mol |
| Monoisotopic Mass | 564.512g/mol |
| Rotatable Bond Count | 33 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 14.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number