2,4-Methylene cholesterol
PubChem CID: 157009865
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| Compound Synonyms | 2,4-Methylene cholesterol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | QVMGGORUQUGORU-ACKWHCSXSA-N |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 30.0 |
| Compound Name | 2,4-Methylene cholesterol |
| Description | 2,4-methylene cholesterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 2,4-methylene cholesterol can be found in a number of food items such as cucumber, french plantain, muskmelon, and corn, which makes 2,4-methylene cholesterol a potential biomarker for the consumption of these food products. |
| Exact Mass | 410.355 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.355 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 729.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 410.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3S,10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,4-dimethylidene-1,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C29H46O/c1-18(2)9-8-10-19(3)23-13-14-25-22-11-12-24-21(5)27(30)20(4)17-29(24,7)26(22)15-16-28(23,25)6/h12,18-19,22-23,25-27,30H,4-5,8-11,13-17H2,1-3,6-7H3/t19-,22?,23?,25?,26?,27+,28-,29+/m1/s1 |
| Smiles | C[C@H](CCCC(C)C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC(=C)[C@@H](C4=C)O)C)C |
| Xlogp | 8.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C29H46O |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cucumis Melo (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Moringa Oleifera (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all