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Structure of Imbricatolic Acid (C20H34O3)

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2D chemical structure image of Imbricatolic Acid
Chemical Formula C20H34O3
Molecular Weight 322.48216 g/mol
IUPAC Name (1S,4aR,5S,8aR)-5-[(3S)-5-hydroxy-3-methylpentyl]-1,4a-dimethyl-6-methylidene-decahydronaphthalene-1-carboxylic acid
SMILES String CC(CCO)CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O
InChI InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14-,16-,17+,19+,20-/m0/s1
InChIKey NSRKLZRKJJQJLD-BEUFEYIVSA-N
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Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Imbricatolic Acid molecule contains a total of 58 bond(s). There are 24 non-H bond(s), 2 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 carboxylic acid(s) (aliphatic), 2 hydroxyl group(s), and 1 primary alcohol(s). Images of the chemical structure of Imbricatolic Acid are given below:

2D chemical structure image of Imbricatolic Acid
2-dimensional (2D) chemical structure image of Imbricatolic Acid
3D chemical structure image of Imbricatolic Acid
3-dimensional (3D) chemical structure image of Imbricatolic Acid

The 2D chemical structure image of Imbricatolic Acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Imbricatolic Acid 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 Imbricatolic Acid 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 Imbricatolic Acid. Download structure data file (SDF/MOL) file of this compound.

Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of Imbricatolic Acid is provided here.

The Imbricatolic Acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Imbricatolic Acid molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Imbricatolic Acid can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.

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  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying Imbricatolic Acid Molecule

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

    The SMILES string of Imbricatolic Acid is CC(CCO)CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Imbricatolic Acid.

  • Structure Data File (SDF/MOL File) of Imbricatolic Acid

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

  • Chemical formula of Imbricatolic Acid

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

  • Molecular weight of Imbricatolic Acid

    The molecular weight of Imbricatolic Acid is available in molecular weight page of Imbricatolic Acid, 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 Imbricatolic Acid

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

    • 6832-60-6
    • Imbricatolic Acid

Imbricatolic Acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Imbricatolic Acid?
C20H34O3
How many atoms and what are the elements included the Imbricatolic Acid molecule?
57 atom(s) - 34 Hydrogen atom(s), 20 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Imbricatolic Acid structure?
58 bond(s) - 24 non-H bond(s), 2 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 carboxylic acid(s) (aliphatic), 2 hydroxyl group(s), and 1 primary alcohol(s)
What’s the Imbricatolic Acid’s molecular weight?
322.48216 g/mol
What’s the SMILES code of Imbricatolic Acid?
CC(CCO)CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O
What’s the InChI string of Imbricatolic Acid?
InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14-,16-,17+,19+,20-/m0/s1
What’s the InChIKey code of Imbricatolic Acid?
NSRKLZRKJJQJLD-BEUFEYIVSA-N