Octacosyl triacontanoate
PubChem CID: 129837278
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| Compound Synonyms | Octacosyl triacontanoate, 87538-97-4, octacosanyl triacontanoate, Octacosyl triacontanoic acid, CHEBI:184355, DTXSID701312940 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 60.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of Solanum torvum (pea eggplant). Octacosyl triacontanoate is found in fruits. |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 747.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octacosyl triacontanoate |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 29.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acid esters |
| Gsk 4 400 Rule | False |
| Molecular Formula | C58H116O2 |
| Inchi Key | QYVJNQWOLBGEOX-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 56.0 |
| State | Solid |
| Synonyms | Octacosyl triacontanoate, Octacosyl triacontanoic acid, octacosanyl triacontanoate, octacosanyl-triacontanoate |
| Esol Class | Insoluble |
| Functional Groups | COC(C)=O |
| Compound Name | Octacosyl triacontanoate |
| Kingdom | Organic compounds |
| Exact Mass | 844.898 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 844.898 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 845.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C58H116O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-34-36-38-40-42-44-46-48-50-52-54-56-58(59)60-57-55-53-51-49-47-45-43-41-39-37-35-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-57H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Wax monoesters |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Torvum (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Reference:ISBN:9788172361150