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Structure & Deep Data of Cholesterol (C27H46O)

Identification of Cholesterol Chemical Compound

2D chemical structure image of cholesterol
Chemical Formula C27H46O
Molecular Weight 386.65354 g/mol
IUPAC Name (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol
SMILES String CC(C)CCCC(C)C3CCC4C2CC=C1CC(O)CCC1(C)C2CCC34C
InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey HVYWMOMLDIMFJA-DPAQBDIFSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The cholesterol molecule contains a total of 77 bond(s). There are 31 non-H bond(s), 1 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 hydroxyl group(s), and 1 secondary alcohol(s). Images of the chemical structure of cholesterol are given below:

2D chemical structure image of cholesterol
2-dimensional (2D) chemical structure image of cholesterol
3D chemical structure image of cholesterol
3-dimensional (3D) chemical structure image of cholesterol

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


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Interactive 3D Visualization

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

The cholesterol 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 cholesterol 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 cholesterol 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
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying Cholesterol Molecule

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

    The SMILES string of cholesterol is CC(C)CCCC(C)C3CCC4C2CC=C1CC(O)CCC1(C)C2CCC34C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the cholesterol.

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

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

  • Chemical formula of cholesterol

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

  • Molecular weight of cholesterol

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

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

    • 80356-14-5
    • 5-Cholesten-3beta-ol
    • Cholesterol solution
    • CLR
    • Provitamin D
    • Cholest-5-en-3-ol, (3-.beta.)-
    • nchembio.77-comp1
    • D00040
    • Cholesterol (TN)
    • Cholesterol (JP15/NF)
    • (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • Cholest-5-en-3-ol (3beta)-, labeled with tritium
    • (3H)-Cholesterol
    • delta(sup 5)-Cholesten-3-beta-ol
    • Tegolan (VAN)
    • Lidinite
    • Lidinit
    • Cholesterol [USAN:JAN]
    • Cholesterine
    • Cholest-5-en-3-ol, (3beta)-
    • Cholest-5-en-3-ol (3beta)-
    • Cholest-5-en-3-beta-ol
    • 5:6-Cholesten-3beta-ol
    • 3beta-Hydroxycholest-5-ene
    • 3-beta-Hydroxycholest-5-ene
    • (3beta)-cholest-5-en-3-ol
    • Delta5-Cholesten-3beta-ol
    • 5-Cholesten-3b-ol
    • 3beta-Hydroxy-5-cholestene
    • CHOLESTEROL
    • nchembio782-comp1
    • Cholest-5-en-3beta-ol
    • Soya phospholipon & Cholesterol (2:1 molar ratio)
    • Phospholipon & Cholesterol
    • LMST01010001
    • Synthetic cholesterol
    • Wool alcohols B. P.
    • Tegolan
    • Super hartolan
    • SyntheChol
    • Nimco cholesterol base No. 712
    • Nimco cholesterol base H
    • Lanol
    • Kathro
    • Hydrocerin
    • Dythol
    • Dusoran
    • Dusoline
    • Cordulan
    • Cholestrol
    • Cholestrin
    • Cholesteryl alcohol
    • Cholesterol base H
    • Cholesterin
    • Cholest-5-en-3.beta.-ol
    • Cholest-5-en-3-ol, (3.beta.)-
    • 5:6-Cholesten-3.beta.-ol
    • 5:6-Cholesten-3-ol
    • 5-Cholesten-3.beta.-ol
    • 5,6-Cholesten-3.beta.-ol
    • 3.beta.-Hydroxycholest-5-ene
    • SyntheChol NS0 Supplement
    • 218965-24-3
    • 209124-38-9
    • 57-88-5
    • 22243-67-0

Cholesterol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of cholesterol?
C27H46O
How many atoms and what are the elements included the cholesterol molecule?
74 atom(s) - 46 Hydrogen atom(s), 27 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the cholesterol structure?
77 bond(s) - 31 non-H bond(s), 1 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 hydroxyl group(s), and 1 secondary alcohol(s)
What’s the cholesterol’s molecular weight?
386.65354 g/mol
What’s the SMILES code of cholesterol?
CC(C)CCCC(C)C3CCC4C2CC=C1CC(O)CCC1(C)C2CCC34C
What’s the InChI string of cholesterol?
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
What’s the InChIKey code of cholesterol?
HVYWMOMLDIMFJA-DPAQBDIFSA-N

12149 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).

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