4alpha-Methylzymostenol
PubChem CID: 157010035
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| Compound Synonyms | 4alpha-Methylzymostenol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | SCEZIHJVTBQOLS-LVELUJLUSA-N |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 29.0 |
| Compound Name | 4alpha-Methylzymostenol |
| Description | 4alpha-methylzymostenol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4alpha-methylzymostenol can be found in garden onion, which makes 4alpha-methylzymostenol a potential biomarker for the consumption of this food product. |
| Exact Mass | 400.371 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 400.371 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 632.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 400.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (3S,4S,5S,10S,13R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24,26,29H,7-17H2,1-6H3/t19-,20+,22?,23+,24?,26+,27-,28+/m1/s1 |
| Smiles | C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4(C3CCC4[C@H](C)CCCC(C)C)C |
| Xlogp | 8.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H48O |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all