SDF/Mol File of Cannabifuran (C21H26O2)

Structure Data File (SDF/MOL File) Description

---

Search Another SDF·MOL File

Enter another compound to search for SDF·MOL file:

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

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

190 The contents of this page can freely be shared if cited as follows:
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).