Structure & Deep Data of 5alpha-Androst-2-ene-1beta,17beta-diol (C19H30O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 5alpha-Androst-2-ene-1beta,17beta-diol molecule contains a total of 54 bond(s). There are 24 non-H bond(s), 1 multiple 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), 2 hydroxyl group(s), and 2 secondary alcohol(s). Images of the chemical structure of 5alpha-Androst-2-ene-1beta,17beta-diol are given below:

The 2D chemical structure image of 5alpha-Androst-2-ene-1beta,17beta-diol is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 5alpha-Androst-2-ene-1beta,17beta-diol 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 5alpha-Androst-2-ene-1beta,17beta-diol 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 5alpha-Androst-2-ene-1beta,17beta-diol. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 5alpha-Androst-2-ene-1beta,17beta-diol Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 5alpha-Androst-2-ene-1beta,17beta-diol

  The SMILES string of 5alpha-Androst-2-ene-1beta,17beta-diol is CC34CCC1C(CCC2CC=CC(O)C12C)C3CCC4O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 5alpha-Androst-2-ene-1beta,17beta-diol.

• Structure Data File (SDF/MOL File) of 5alpha-Androst-2-ene-1beta,17beta-diol

  The structure data file (SDF/MOL File) of 5alpha-Androst-2-ene-1beta,17beta-diol is available for download in the SDF page of 5alpha-Androst-2-ene-1beta,17beta-diol, which provides the information about the atoms, bonds, connectivity and coordinates of 5alpha-Androst-2-ene-1beta,17beta-diol. The 5alpha-Androst-2-ene-1beta,17beta-diol structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 5alpha-Androst-2-ene-1beta,17beta-diol

  The molecular formula of 5alpha-Androst-2-ene-1beta,17beta-diol is available in chemical formula page of 5alpha-Androst-2-ene-1beta,17beta-diol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 5alpha-Androst-2-ene-1beta,17beta-diol

  The molecular weight of 5alpha-Androst-2-ene-1beta,17beta-diol is available in molecular weight page of 5alpha-Androst-2-ene-1beta,17beta-diol, 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 5alpha-Androst-2-ene-1beta,17beta-diol

  The 5alpha-Androst-2-ene-1beta,17beta-diol compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 5alpha-Androst-2-ene-1beta,17beta-diol including the various registry numbers, if available:

  • (1beta,5alpha,17beta)-Androst-2-ene-1,17-diol
  • 5a-Androst-2-ene-1b,17b-diol (8CI)
  • 5.alpha.-Androst-2-ene-1.beta.,17.beta.-diol
  • Androst-2-ene-1,17-diol #
  • 5alpha-Androst-2-ene-1beta,17beta-diol
  • 20112-26-9

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5alpha-Androst-2-ene-1beta,17beta-diol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 5alpha-Androst-2-ene-1beta,17beta-diol?
C19H30O2
How many atoms and what are the elements included the 5alpha-Androst-2-ene-1beta,17beta-diol molecule?
51 atom(s) - 30 Hydrogen atom(s), 19 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 5alpha-Androst-2-ene-1beta,17beta-diol structure?
54 bond(s) - 24 non-H bond(s), 1 multiple 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), 2 hydroxyl group(s), and 2 secondary alcohol(s)
What’s the 5alpha-Androst-2-ene-1beta,17beta-diol’s molecular weight?
290.4403 g/mol
What’s the SMILES code of 5alpha-Androst-2-ene-1beta,17beta-diol?
CC34CCC1C(CCC2CC=CC(O)C12C)C3CCC4O
What’s the InChI string of 5alpha-Androst-2-ene-1beta,17beta-diol?
InChI=1S/C19H30O2/c1-18-11-10-15-13(14(18)8-9-16(18)20)7-6-12-4-3-5-17(21)19(12,15)2/h3,5,12-17,20-21H,4,6-11H2,1-2H3/t12-,13+,14+,15+,16+,17-,18+,19+/m1/s1
What’s the InChIKey code of 5alpha-Androst-2-ene-1beta,17beta-diol?
RUUMDVOLWARSAZ-YISWTCPOSA-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).