delta-7-Campesterol
PubChem CID: 157009945
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| Compound Synonyms | delta-7-Campesterol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | PUGBZUWUTZUUCP-PTBPWGFZSA-N |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 29.0 |
| Compound Name | delta-7-Campesterol |
| Description | Delta-7-campesterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Delta-7-campesterol can be found in common walnut, which makes delta-7-campesterol 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 | 620.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 400.7 |
| Database Name | fooddb_chem_all;npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (3S,10S,13R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C28H48O/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/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3/t19-,20-,21?,22+,24?,25?,26?,27+,28-/m1/s1 |
| Smiles | C[C@H](CC[C@@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H](C4)O)C)C |
| Xlogp | 8.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H48O |
- 1. Outgoing r'ship
FOUND_INto/from Celtis Australis (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:fooddb_chem_all