SDF/Mol File of Cholesterol (C27H46O)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Cholesterol Molecule

• Chemical structure of cholesterol

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of cholesterol is available in chemical structure page of cholesterol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• 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 masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of cholesterol

  The chemical formula of cholesterol is given 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.

• InChI (IUPAC International Chemical Identifier) information of cholesterol

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of cholesterol is:

  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

  It can provide a standard way to encode the molecular information of cholesterol 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 cholesterol is:

  InChIKey=HVYWMOMLDIMFJA-DPAQBDIFSA-N

  The InChIKey may allow easier web searches for cholesterol, but it needs to be linked to the full InChI to get back to the original structure of the cholesterol since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of cholesterol

  The cholesterol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of cholesterol including the registry numbers are listed below, 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

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Cholesterol Identification Summary Frequently Asked Questions (FAQs)

What’s the cholesterol formula?
C27H46O
How many atoms and what elements are included in 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 in 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 molar mass?
386.65354 g/mol
What’s the SMILES structure of cholesterol?
CC(C)CCCC(C)C3CCC4C2CC=C1CC(O)CCC1(C)C2CCC34C
What’s the InChI code 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 format of cholesterol?
HVYWMOMLDIMFJA-DPAQBDIFSA-N

4865 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).