6beta-Hydroxycampest-4-ene-3-one
PubChem CID: 157009978
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| Compound Synonyms | 6beta-Hydroxycampest-4-ene-3-one |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | GDTCMKSKBJMNJH-BNPHSUEZSA-N |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 30.0 |
| Compound Name | 6beta-Hydroxycampest-4-ene-3-one |
| Description | 6beta-hydroxycampest-4-ene-3-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6beta-hydroxycampest-4-ene-3-one can be found in date, which makes 6beta-hydroxycampest-4-ene-3-one a potential biomarker for the consumption of this food product. |
| Exact Mass | 414.35 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 414.35 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 693.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 414.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (6R,10R,13R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h15,17-19,21-24,26,30H,7-14,16H2,1-6H3/t18-,19-,21?,22?,23?,24?,26-,27-,28-/m1/s1 |
| Smiles | C[C@H](CC[C@@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2C[C@H](C4=CC(=O)CC[C@]34C)O)C |
| Xlogp | 7.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H46O2 |
- 1. Outgoing r'ship
FOUND_INto/from Phoenix Dactylifera (Plant) Rel Props:Source_db:fooddb_chem_all