Pimara-7,15-diene
PubChem CID: 192993
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| Compound Synonyms | Pimara-7,15-diene, 21561-91-1, (2S,4aR,4bS,8aR)-2-ethenyl-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene, DTXSID90944166 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | VCOVNILQQQZROK-IZBJGVDFSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | Pimara-7,15-diene |
| Heavy Atom Count | 20.0 |
| Compound Name | Pimara-7,15-diene |
| Description | 9beta-pimara-7,15-diene is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. 9beta-pimara-7,15-diene can be found in rice, which makes 9beta-pimara-7,15-diene a potential biomarker for the consumption of this food product. |
| Exact Mass | 272.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.25 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 441.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 272.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,4aR,4bS,8aR)-2-ethenyl-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17-,19+,20-/m1/s1 |
| Smiles | C[C@@]1(CC[C@@H]2C(=CC[C@H]3[C@@]2(CCCC3(C)C)C)C1)C=C |
| Xlogp | 6.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H32 |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all