Structure & Deep Data of Anagestone (C22H34O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Anagestone molecule contains a total of 61 bond(s). There are 27 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 ketone(s) (aliphatic), 1 hydroxyl group(s), and 1 tertiary alcohol(s). Images of the chemical structure of Anagestone are given below:

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

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Additional Information for Identifying Anagestone Molecule

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

  The SMILES string of Anagestone is CC3CC1C(CCC2(C)C1CCC2(O)C(C)=O)C4(C)CCCC=C34, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Anagestone.

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

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

• Chemical formula of Anagestone

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

• Molecular weight of Anagestone

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

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

  • 1-[(6S,8R,9S,10R,13S,14S,17R)-17-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
  • 1-[(1S,2R,8S,10R,11S,14R,15S)-14-HYDROXY-2,8,15-TRIMETHYLTETRACYCLO[8.7.0.0(2),?.0(1)(1),(1)?]HEPTADEC-6-EN-14-YL]ETHAN-1-ONE
  • Pregn-4-en-20-one, 17-hydroxy-6alpha-methyl-
  • 17-Hydroxy-6alpha-methylpregn-4-en-20-one
  • S8FB38IU3G
  • 17-Hydroxy-6alpha-methyl-4-pregnen-20-on
  • 6a-methyl-4-pregnen-17a-ol-20-one
  • Anagestona [INN-Spanish]
  • Anagestonum [INN-Latin]
  • Anagestone [INN]

  • Anagestonum
  • Anagestona
  • 2740-52-5
  • Anagestone

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Anagestone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Anagestone?
C22H34O2
How many atoms and what are the elements included the Anagestone molecule?
58 atom(s) - 34 Hydrogen atom(s), 22 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Anagestone structure?
61 bond(s) - 27 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 ketone(s) (aliphatic), 1 hydroxyl group(s), and 1 tertiary alcohol(s)
What’s the Anagestone’s molecular weight?
330.50416 g/mol
What’s the SMILES code of Anagestone?
CC3CC1C(CCC2(C)C1CCC2(O)C(C)=O)C4(C)CCCC=C34
What’s the InChI string of Anagestone?
InChI=1S/C22H34O2/c1-14-13-16-18(20(3)10-6-5-7-17(14)20)8-11-21(4)19(16)9-12-22(21,24)15(2)23/h7,14,16,18-19,24H,5-6,8-13H2,1-4H3/t14-,16+,18-,19-,20-,21-,22-/m0/s1
What’s the InChIKey code of Anagestone?
GAIHSQSRHYQICG-DACBVQKSSA-N

32 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).