2-Butyl-3-methyl-Pyrazine
PubChem CID: 13390415
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| Compound Synonyms | 2-Butyl-3-methyl-Pyrazine, 2a,3a,22R,23R-Tetrahydroxy-B-homo-7-oxa-5a-ergost-24(28)-en-6-one, 9CI |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | PPFRJNLKWADOTL-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2-Butyl-3-methyl-pyrazine, 2-Butyl-3-methylpyrazine, 2-n-Butyl-3-methylpyrazine, 2a,3a,22R,23R-Tetrahydroxy-B-homo-7-oxa-5a-ergost-24(28)-en-6-one, 9CI, Pyrazine, 2-butyl-3-methyl- |
| Heavy Atom Count | 34.0 |
| Compound Name | 2-Butyl-3-methyl-Pyrazine |
| Description | Constituent of Dolichos lablab (hyacinth bean). Dolicholide is found in many foods, some of which are green bean, common bean, hyacinth bean, and yellow wax bean. |
| Exact Mass | 478.329 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 478.329 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 796.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 478.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-(3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one |
| Total Atom Stereocenter Count | 12.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C28H46O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14,16-25,29-32H,3,7-13H2,1-2,4-6H3 |
| Smiles | CC(C)C(=C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O |
| Xlogp | 4.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H46O6 |
- 1. Outgoing r'ship
FOUND_INto/from Dolichos Lablab (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lablab Purpureus (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all