Structure & Deep Data of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one (C20H30O3)
Identification of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one Chemical Compound
| Chemical Formula | C20H30O3 |
|---|---|
| Molecular Weight | 318.4504 g/mol |
| IUPAC Name | (1S,2R,10S,11S,14S,15S,17R)-14,17-dihydroxy-2,14,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one |
| SMILES String | CC3(O)CCC4C2CCC1=CC(=O)CCC1(C)C2C(O)CC34C |
| InChI | InChI=1S/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h10,14-17,22-23H,4-9,11H2,1-3H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1 |
| InChIKey | UBIBSXMTVJAYTQ-QMNUTNMBSA-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 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one molecule contains a total of 56 bond(s). There are 26 non-H bond(s), 2 multiple 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), 2 hydroxyl group(s), 1 secondary alcohol(s), and 1 tertiary alcohol(s). Images of the chemical structure of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one are given below:
The 2D chemical structure image of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one 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 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one 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 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one is provided here.
The 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one 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 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one 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 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one 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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Additional Information for Identifying 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one
The SMILES string of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one is CC3(O)CCC4C2CCC1=CC(=O)CCC1(C)C2C(O)CC34C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one.
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Structure Data File (SDF/MOL File) of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one
The structure data file (SDF/MOL File) of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one is available for download in the SDF page of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one, which provides the information about the atoms, bonds, connectivity and coordinates of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one. The 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one
The molecular formula of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one is available in chemical formula page of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one
The molecular weight of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one is available in molecular weight page of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one, 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.
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Other names (synonyms) or registry numbers of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one
The 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one including the various registry numbers, if available:
- 11alpha-Hydroxy-17alpha-methyltestosterone
- Androst-4-en-3-one, 11,17-dihydroxy-17-methyl-, (11alpha,17beta)- (9CI)
- 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one
- 1807-02-9
11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one? |
|---|
| C20H30O3 |
| How many atoms and what are the elements included the 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one 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 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one structure? |
| 56 bond(s) - 26 non-H bond(s), 2 multiple 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), 2 hydroxyl group(s), 1 secondary alcohol(s), and 1 tertiary alcohol(s) |
| What’s the 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one’s molecular weight? |
| 318.4504 g/mol |
| What’s the SMILES code of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one? |
| CC3(O)CCC4C2CCC1=CC(=O)CCC1(C)C2C(O)CC34C |
| What’s the InChI string of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one? |
| InChI=1S/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h10,14-17,22-23H,4-9,11H2,1-3H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1 |
| What’s the InChIKey code of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one? |
| UBIBSXMTVJAYTQ-QMNUTNMBSA-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).