Structure & Deep Data of Etiocholenic acid (C20H30O3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Etiocholenic acid molecule contains a total of 56 bond(s). There are 26 non-H bond(s), 2 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 carboxylic acid(s) (aliphatic), 2 hydroxyl group(s), and 1 secondary alcohol(s). Images of the chemical structure of Etiocholenic acid are given below:

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

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Additional Information for Identifying Etiocholenic acid Molecule

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

  The SMILES string of Etiocholenic acid is CC34CCC1C(CC=C2CC(O)CCC12C)C3CCC4C(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 Etiocholenic acid.

• Structure Data File (SDF/MOL File) of Etiocholenic acid

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

• Chemical formula of Etiocholenic acid

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

• Molecular weight of Etiocholenic acid

  The molecular weight of Etiocholenic acid is available in molecular weight page of Etiocholenic 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 Etiocholenic acid

  The Etiocholenic 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 Etiocholenic acid including the various registry numbers, if available:

  • (3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
  • (1S,2R,5S,10S,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-ene-14-carboxylic acid
  • Androst-5-ene-17-carboxylic acid, 3-hydroxy-, (3beta,17beta)- (9CI)
  • Androst-5-ene-17-carboxylicacid, 3-hydroxy-, (3b,17b)-
  • 3beta-Hydroxyandrosta-5-ene-17beta-carboxylic acid
  • 3-Hydroxy-5-androstene-17-carboxylic acid
  • AR-1A4995
  • KST-1A0404
  • 3|A-Hydroxyetio-5-cholenic acid
  • 3|A-Hydroxy-5-etienic acid

  • (3|A,17|A)-3-hydroxyandrost-5-ene-17-carboxylic acid
  • Etiocholenic acid
  • 10325-79-8

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Etiocholenic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Etiocholenic acid?
C20H30O3
How many atoms and what are the elements included the Etiocholenic acid molecule?
53 atom(s) - 30 Hydrogen atom(s), 20 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Etiocholenic acid structure?
56 bond(s) - 26 non-H bond(s), 2 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 carboxylic acid(s) (aliphatic), 2 hydroxyl group(s), and 1 secondary alcohol(s)
What’s the Etiocholenic acid’s molecular weight?
318.4504 g/mol
What’s the SMILES code of Etiocholenic acid?
CC34CCC1C(CC=C2CC(O)CCC12C)C3CCC4C(O)=O
What’s the InChI string of Etiocholenic acid?
InChI=1S/C20H30O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h3,13-17,21H,4-11H2,1-2H3,(H,22,23)/t13-,14-,15-,16-,17+,19-,20-/m0/s1
What’s the InChIKey code of Etiocholenic acid?
MGMOLZNAUACBCR-WQBJWTDHSA-N

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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).