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SDF/Mol File of Cannabifuran (C21H26O2)

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2D chemical structure image of Cannabifuran
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
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Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of Cannabifuran is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Cannabifuran molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of Cannabifuran
Ball-and-stick model of Cannabifuran

Search Another SDF·MOL File

Enter another compound to search for SDF·MOL file:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying Cannabifuran Molecule

  • Chemical structure of Cannabifuran

    By visualizing the structure data file (SDF/MOL File) above, 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 and the chemical bonds that hold the atoms together.

  • 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 masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of Cannabifuran

    The chemical formula of Cannabifuran is given in chemical formula page of Cannabifuran, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • InChI (IUPAC International Chemical Identifier) information of Cannabifuran

    An alternative way of expressing structural information in text format 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.

  • Other names (synonyms) or registry numbers of Cannabifuran

    The Cannabifuran compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Cannabifuran including the registry numbers are listed below, if available:

    • 56154-58-6
    • Cannabifuran

Cannabifuran Identification Summary Frequently Asked Questions (FAQs)

What’s the Cannabifuran formula?
C21H26O2
How many atoms and what elements are included in the Cannabifuran molecule?
49 atom(s) - 26 Hydrogen atom(s), 21 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are 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 Cannabifuran’s molar mass?
310.42994 g/mol
What’s the SMILES structure of Cannabifuran?
CCCCCc1cc(O)c2c(c1)oc3c(C)ccc(C(C)C)c23
What’s the InChI code 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 format of Cannabifuran?
VNGQMWZHHNCMLQ-UHFFFAOYSA-N