Marsilin
PubChem CID: 84258
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Triacontyl hexacosanoate, Marsilin, Marsiline, 14206-01-0, 1-Triacontanol cerotate, 2CN8UU4ZYY, Hexacosanoic acid, triacontyl ester, EINECS 238-061-2, BRN 1898368, TRIACONTYL-HEXACOSANOATE, DTXSID10161934, Triacontylhexacosanoate, Cerotinsauremelissylester, UNII-2CN8UU4ZYY, DTXCID1084425, SCHEMBL10881043, OHXVNPLQCLJGEX-UHFFFAOYSA-N, NS00024613 |
|---|---|
| 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)CCCCCCCCCCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 58.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 717.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | triacontyl hexacosanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 28.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C56H112O2 |
| Inchi Key | OHXVNPLQCLJGEX-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 54.0 |
| Synonyms | marsilin, marsilin(1-triacontanol cerotate), marsiline |
| Esol Class | Insoluble |
| Functional Groups | COC(C)=O |
| Compound Name | Marsilin |
| Exact Mass | 816.866 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 816.866 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 817.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C56H112O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-33-35-37-39-41-43-45-47-49-51-53-55-58-56(57)54-52-50-48-46-44-42-40-38-36-34-32-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-55H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
| 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 Ipomoea Carnea (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Ipomoea Fistulosa (Plant) Rel Props:Reference:ISBN:9788172360481 - 3. Outgoing r'ship
FOUND_INto/from Marsilea Minuta (Plant) Rel Props:Reference:ISBN:9788172363130