1-Triacontanol, acetate
PubChem CID: 3084839
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| Compound Synonyms | Triacontyl acetate, 41755-58-2, 1-Triacontanol, acetate, n-Triacontyl acetate, Melissyl acetate, 1-Triacontanol,1-acetate, DTXSID00194579, triacontanyl acetate, starbld0021683, DTXCID90117070, HY-W127477, DB-257151, CS-0185706 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC=O)C |
| Heavy Atom Count | 34.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | triacontyl acetate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 15.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C32H64O2 |
| Inchi Key | OVQVOKLGCDAZBX-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 30.0 |
| Synonyms | n-triacontanyl acetate, triacontyl acetate |
| Esol Class | Insoluble |
| Functional Groups | COC(C)=O |
| Compound Name | 1-Triacontanol, acetate |
| Exact Mass | 480.491 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 480.491 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 480.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C32H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32(2)33/h3-31H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Hispida (Plant) Rel Props:Reference:ISBN:9788172363130