Formula of Cannabifuran (C21H26O2)
Identification of Cannabifuran Chemical Compound
| Chemical Formula | C21H26O2 |
|---|---|
| Molecular Weight | 310.42994 g/mol |
| IUPAC Name | 10-methyl-5-pentyl-13-(propan-2-yl)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-3-ol |
| SMILES String | CCCCCc1cc(O)c2c(c1)oc3c(C)ccc(C(C)C)c23 |
| InChI | InChI=1S/C21H26O2/c1-5-6-7-8-15-11-17(22)20-18(12-15)23-21-14(4)9-10-16(13(2)3)19(20)21/h9-13,22H,5-8H2,1-4H3 |
| InChIKey | VNGQMWZHHNCMLQ-UHFFFAOYSA-N |
Chemical Formula Description
The Cannabifuran molecule contains a total of 49 atom(s). There are 26 Hydrogen atom(s), 21 Carbon atom(s), and 2 Oxygen atom(s). A chemical formula of Cannabifuran can therefore be written as:
C21H26O2
The chemical formula of Cannabifuran shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Cannabifuran Molecule
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Structure Data File (SDF/MOL File) of Cannabifuran
The structure data file (SDF/MOL File) of Cannabifuran is available for download in the SDF page of Cannabifuran providing the information about the atoms, bonds, connectivity and coordinates of Cannabifuran, which is not completely available in the chemical formula representation. The Cannabifuran structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Cannabifuran
The chemical structure image of Cannabifuran is available in chemical structure page of Cannabifuran, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Cannabifuran and the chemical bonds that hold the atoms together.
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Molecular weight of Cannabifuran
The molecular weight of Cannabifuran is available in molecular weight page of Cannabifuran, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Cannabifuran.
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InChI (IUPAC International Chemical Identifier) information of Cannabifuran
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Cannabifuran is:
InChI=1S/C21H26O2/c1-5-6-7-8-15-11-17(22)20-18(12-15)23-21-14(4)9-10-16(13(2)3)19(20)21/h9-13,22H,5-8H2,1-4H3
It can provide a standard way to encode the molecular information of Cannabifuran to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Cannabifuran is:
InChIKey=VNGQMWZHHNCMLQ-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Cannabifuran, but it needs to be linked to the full InChI to get back to the original structure of the Cannabifuran since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Cannabifuran
The Cannabifuran compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Cannabifuran including the registry numbers is given below, if available:
- 56154-58-6
- Cannabifuran
Cannabifuran Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Cannabifuran? |
|---|
| C21H26O2 |
| How many atoms and what are they in the Cannabifuran structure? |
| 49 atom(s) - 26 Hydrogen atom(s), 21 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what are they in the Cannabifuran structure? |
| 51 bond(s) - 25 non-H bond(s), 15 multiple bond(s), 5 rotatable bond(s), 15 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), 1 aromatic hydroxyl(s), and 1 Furane(s) |
| What’s the molecular weight of Cannabifuran? |
| 310.42994 g/mol |
| What’s the SMILES string of Cannabifuran? |
| CCCCCc1cc(O)c2c(c1)oc3c(C)ccc(C(C)C)c23 |
| What’s the InChI of Cannabifuran? |
| InChI=1S/C21H26O2/c1-5-6-7-8-15-11-17(22)20-18(12-15)23-21-14(4)9-10-16(13(2)3)19(20)21/h9-13,22H,5-8H2,1-4H3 |
| What’s the InChIKey of Cannabifuran? |
| VNGQMWZHHNCMLQ-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).