Furost-5-ene-3beta,22,26-triol
PubChem CID: 157010020
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| Compound Synonyms | Furost-5-ene-3beta,22,26-triol |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | DJVDLKHAJBHWLE-MWIJGBPOSA-N |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 30.0 |
| Compound Name | Furost-5-ene-3beta,22,26-triol |
| Description | Furost-5-ene-3beta,22,26-triol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Furost-5-ene-3beta,22,26-triol can be found in fenugreek, which makes furost-5-ene-3beta,22,26-triol a potential biomarker for the consumption of this food product. |
| Exact Mass | 418.308 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 418.308 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 705.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 418.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (6R,7S,9S,13R,16S)-6-(4-hydroxybutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,16-diol |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C26H42O4/c1-16-23-22(30-26(16,29)10-4-5-13-27)15-21-19-7-6-17-14-18(28)8-11-24(17,2)20(19)9-12-25(21,23)3/h6,16,18-23,27-29H,4-5,7-15H2,1-3H3/t16-,18-,19?,20?,21?,22?,23?,24-,25-,26+/m0/s1 |
| Smiles | C[C@H]1C2C(CC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O[C@@]1(CCCCO)O |
| Xlogp | 4.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C26H42O4 |
- 1. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all