Structure & Deep Data of Nagilactone C (C19H22O7)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Nagilactone C molecule contains a total of 52 bond(s). There are 30 non-H bond(s), 4 multiple bond(s), 1 rotatable bond(s), 4 double bond(s), 1 three-membered ring(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 seven-membered ring(s), 2 nine-membered ring(s), 3 ten-membered ring(s), 2 eleven-membered ring(s), 1 twelve-membered ring(s), 2 ester(s) (aliphatic), 2 hydroxyl group(s), 2 secondary alcohol(s), 1 ether(s) (aliphatic), and 1 Oxirane(s). Images of the chemical structure of Nagilactone C are given below:

The 2D chemical structure image of Nagilactone C is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Nagilactone C are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Nagilactone C is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Nagilactone C. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Nagilactone C Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Nagilactone C

  The SMILES string of Nagilactone C is CC(C)c1oc(=O)cc3c1C(O)C4OC(=O)C5(C)C(O)C2OC2C3(C)C45, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Nagilactone C.

• Structure Data File (SDF/MOL File) of Nagilactone C

  The structure data file (SDF/MOL File) of Nagilactone C is available for download in the SDF page of Nagilactone C, which provides the information about the atoms, bonds, connectivity and coordinates of Nagilactone C. The Nagilactone C structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Nagilactone C

  The molecular formula of Nagilactone C is available in chemical formula page of Nagilactone C, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Nagilactone C

  The molecular weight of Nagilactone C is available in molecular weight page of Nagilactone C, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Nagilactone C

  The Nagilactone C compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Nagilactone C including the various registry numbers, if available:

  • 24338-53-2
  • Nagilactone C

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Nagilactone C Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Nagilactone C?
C19H22O7
How many atoms and what are the elements included the Nagilactone C molecule?
48 atom(s) - 22 Hydrogen atom(s), 19 Carbon atom(s), and 7 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Nagilactone C structure?
52 bond(s) - 30 non-H bond(s), 4 multiple bond(s), 1 rotatable bond(s), 4 double bond(s), 1 three-membered ring(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 seven-membered ring(s), 2 nine-membered ring(s), 3 ten-membered ring(s), 2 eleven-membered ring(s), 1 twelve-membered ring(s), 2 ester(s) (aliphatic), 2 hydroxyl group(s), 2 secondary alcohol(s), 1 ether(s) (aliphatic), and 1 Oxirane(s)
What’s the Nagilactone C’s molecular weight?
362.37378 g/mol
What’s the SMILES code of Nagilactone C?
CC(C)c1oc(=O)cc3c1C(O)C4OC(=O)C5(C)C(O)C2OC2C3(C)C45
What’s the InChI string of Nagilactone C?
InChI=1S/C19H22O7/c1-6(2)11-9-7(5-8(20)24-11)18(3)14-12(10(9)21)26-17(23)19(14,4)15(22)13-16(18)25-13/h5-6,10,12-16,21-22H,1-4H3/t10-,12-,13+,14-,15+,16+,18-,19-/m1/s1
What’s the InChIKey code of Nagilactone C?
DGNOPGIIPQKNHD-PAFIYYKWSA-N

32 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).