25-Ethoxy-24-methoxycylcoartanol
PubChem CID: 157009967
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| Compound Synonyms | 25-Ethoxy-24-methoxycylcoartanol |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | OGMSFXBEECUZBJ-HPKPZDKRSA-N |
| Rotatable Bond Count | 8.0 |
| Heavy Atom Count | 35.0 |
| Compound Name | 25-Ethoxy-24-methoxycylcoartanol |
| Description | 25-ethoxy-24-methoxycylcoartanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 25-ethoxy-24-methoxycylcoartanol can be found in rice, which makes 25-ethoxy-24-methoxycylcoartanol a potential biomarker for the consumption of this food product. |
| Exact Mass | 488.423 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 488.423 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 794.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 488.8 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (6S,12S,16R)-15-[(2R)-6-ethoxy-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/C32H56O3/c1-9-35-22(3)24(34-8)11-10-21(2)23-14-16-30(7)26-13-12-25-28(4,5)27(33)15-17-31(25)20-32(26,31)19-18-29(23,30)6/h21-27,33H,9-20H2,1-8H3/t21-,22?,23?,24?,25?,26?,27+,29-,30+,31?,32?/m1/s1 |
| Smiles | CCOC(C)C(CC[C@@H](C)C1CC[C@@]2([C@@]1(CCC34C2CCC5C3(C4)CC[C@@H](C5(C)C)O)C)C)OC |
| Xlogp | 8.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C32H56O3 |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all