Cholesteryl parinaratecholesteryl parinarate
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
Also Known As: Cholesteryl cis-parinarate|Cholesteryl parinarate|Cholesteryl parinaratecholesteryl parinarate|[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate|Cholest-5-en-3-ol (3beta)-, 9,11,13,15-octadecatetraenoate, (3(9Z,11E,13E,15Z))-
| Molecular Formula | C45H72O2 |
|---|---|
| Molecular Weight | 644.5532 g/mol |
| LogP | 13.3051 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 644.5532 |
| Monoisotopic Mass | 644.5532 |
| Heavy Atoms | 47 |
| Complexity | 1105.0044 |
Chemical Identifiers
| CAS Number | 72467-67-5 |
|---|---|
| SMILES | CC/C=C/C=C/C=C/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C |
Product Overview
Cholesteryl parinaratecholesteryl parinarate (CAS 72467-67-5), with molecular formula C45H72O2 and molecular weight 644.5532 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate.