19-Hydroxyroyleanone
PubChem CID: 101949536
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| Compound Synonyms | 19-Hydroxyroyleanone, 19-Hydroxy-royleanone |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | FFYKQBWABLNSLT-SVIJTADQSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | HYDROXY-ROYLEANONE |
| Heavy Atom Count | 24.0 |
| Compound Name | 19-Hydroxyroyleanone |
| Description | 19-hydroxyroyleanone is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. 19-hydroxyroyleanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 19-hydroxyroyleanone can be found in common sage, which makes 19-hydroxyroyleanone a potential biomarker for the consumption of this food product. |
| Exact Mass | 332.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.199 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 669.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 332.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4bS,8S,8aR)-1-hydroxy-8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H28O4/c1-11(2)14-16(22)12-6-7-13-19(3,10-21)8-5-9-20(13,4)15(12)18(24)17(14)23/h11,13,21-22H,5-10H2,1-4H3/t13-,19+,20-/m0/s1 |
| Smiles | CC(C)C1=C(C2=C(C(=O)C1=O)[C@]3(CCC[C@]([C@@H]3CC2)(C)CO)C)O |
| Xlogp | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H28O4 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all