(4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
PubChem CID: 157010013
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | IHQBZSSZQWCOOB-DKUMPPAJSA-N |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Compound Name | (4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene |
| Description | Beta-muurolene can be found in cloves, which makes beta-muurolene a potential biomarker for the consumption of this food product. |
| Exact Mass | 206.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.203 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 206.37 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H26/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,10,12-15H,6-9H2,1-4H3/t12?,13-,14+,15-/m0/s1 |
| Smiles | CC1CC[C@H]([C@H]2[C@@H]1CC=C(C2)C)C(C)C |
| Xlogp | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H26 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:fooddb_chem_all