24-Methyl-trans-22-dehydrocholesterol
PubChem CID: 157009938
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| Compound Synonyms | 24-Methyl-trans-22-dehydrocholesterol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | OILXMJHPFNGGTO-NEOZPDRJSA-N |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 29.0 |
| Compound Name | 24-Methyl-trans-22-dehydrocholesterol |
| Description | 24-methyl-trans-22-dehydrocholesterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 24-methyl-trans-22-dehydrocholesterol can be found in sunflower, which makes 24-methyl-trans-22-dehydrocholesterol a potential biomarker for the consumption of this food product. |
| Exact Mass | 398.355 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 398.355 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 659.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 398.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (3S,10R,13R,17R)-17-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19?,20-,22+,23?,24-,25?,26?,27+,28-/m1/s1 |
| Smiles | C[C@H](/C=C/C(C)C(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| Xlogp | 8.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C28H46O |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all