Structure of IVERMECTIN (C48H74O14)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The IVERMECTIN molecule contains a total of 142 bond(s). There are 68 non-H bond(s), 5 multiple bond(s), 8 rotatable bond(s), 5 double bond(s), 1 five-membered ring(s), 5 six-membered ring(s), 1 nine-membered ring(s), 1 ester(s) (aliphatic), 3 hydroxyl group(s), 2 secondary alcohol(s), 1 tertiary alcohol(s), and 9 ether(s) (aliphatic). Images of the chemical structure of IVERMECTIN are given below:

The 2D chemical structure image of IVERMECTIN is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of IVERMECTIN 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 IVERMECTIN 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 IVERMECTIN.

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Additional Information for Identifying IVERMECTIN Molecule

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

  The SMILES string of IVERMECTIN is CCC(C)C1OC7(CCC1C)CC4CC(CC=C(C)C(OC3CC(OC)C(OC2CC(OC)C(O)C(C)O2)C(C)O3)C(C)C=CC=C5COC6C(O)C(=CC(C(=O)O4)C56O)C)O7, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the IVERMECTIN.

• Structure Data File (SDF/MOL File) of IVERMECTIN

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

• Chemical formula of IVERMECTIN

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

• Molecular weight of IVERMECTIN

  The molecular weight of IVERMECTIN is available in molecular weight page of IVERMECTIN, 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 IVERMECTIN

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

  • Dihydroavermectin B1a
  • IVERMECTIN
  • 70288-86-7
  • 22,23-Dihydroavermectin B1

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IVERMECTIN Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of IVERMECTIN?
C48H74O14
How many atoms and what are the elements included the IVERMECTIN molecule?
136 atom(s) - 74 Hydrogen atom(s), 48 Carbon atom(s), and 14 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the IVERMECTIN structure?
142 bond(s) - 68 non-H bond(s), 5 multiple bond(s), 8 rotatable bond(s), 5 double bond(s), 1 five-membered ring(s), 5 six-membered ring(s), 1 nine-membered ring(s), 1 ester(s) (aliphatic), 3 hydroxyl group(s), 2 secondary alcohol(s), 1 tertiary alcohol(s), and 9 ether(s) (aliphatic)
What’s the IVERMECTIN’s molecular weight?
875.09276 g/mol
What’s the SMILES code of IVERMECTIN?
CCC(C)C1OC7(CCC1C)CC4CC(CC=C(C)C(OC3CC(OC)C(OC2CC(OC)C(O)C(C)O2)C(C)O3)C(C)C=CC=C5COC6C(O)C(=CC(C(=O)O4)C56O)C)O7
What’s the InChI string of IVERMECTIN?
InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3
What’s the InChIKey code of IVERMECTIN?
AZSNMRSAGSSBNP-UHFFFAOYSA-N

2298 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 SQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2022).