25-Hydroxy-24-methoxycycloartanol
PubChem CID: 157009968
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| Compound Synonyms | 25-Hydroxy-24-methoxycycloartanol |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | KCKYABDSAUPMLI-XUDURKDJSA-N |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 33.0 |
| Compound Name | 25-Hydroxy-24-methoxycycloartanol |
| Description | 25-hydroxy-24-methoxycycloartanol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 25-hydroxy-24-methoxycycloartanol can be found in rice, which makes 25-hydroxy-24-methoxycycloartanol a potential biomarker for the consumption of this food product. |
| Exact Mass | 460.392 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 460.392 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 764.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 460.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-6-hydroxy-5-methoxyheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C30H52O3/c1-19(8-9-22(33-7)20(2)31)21-12-14-28(6)24-11-10-23-26(3,4)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)5/h19-25,31-32H,8-18H2,1-7H3/t19-,20?,21-,22?,23+,24+,25+,27-,28+,29-,30+/m1/s1 |
| Smiles | C[C@H](CCC(C(C)O)OC)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C |
| Xlogp | 7.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C30H52O3 |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all