Taraxasterol palmitate
PubChem CID: 14055766
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| Compound Synonyms | Taraxasterol palmitate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | DXQGVZZURAURRK-UHFFFAOYSA-N |
| Rotatable Bond Count | 16.0 |
| Synonyms | Taraxasterol palmitate |
| Heavy Atom Count | 48.0 |
| Compound Name | Taraxasterol palmitate |
| Description | Taraxasterol palmitate is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Taraxasterol palmitate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Taraxasterol palmitate can be found in burdock, which makes taraxasterol palmitate a potential biomarker for the consumption of this food product. |
| Exact Mass | 664.616 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 664.616 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1090.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 665.1 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl) hexadecanoate |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h35-39,41H,2,10-33H2,1,3-9H3 |
| Smiles | CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4C5C(C(=C)CCC5(CCC4(C3(CCC2C1(C)C)C)C)C)C)C |
| Xlogp | 17.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C46H80O2 |
- 1. Outgoing r'ship
FOUND_INto/from Arctium Lappa (Plant) Rel Props:Source_db:fooddb_chem_all