Structure & Deep Data of Delta14-Triamcinolone acetonide (C24H29FO6)
Identification of Delta14-Triamcinolone acetonide Chemical Compound
Chemical Formula | C24H29FO6 |
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Molecular Weight | 432.481863 g/mol |
IUPAC Name | (1S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-2,14,17-trien-16-one |
SMILES String | CC5(C)OC4C=C3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O5)C(=O)CO |
InChI | InChI=1S/C24H29FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-10,15,17,19,26,28H,5-6,11-12H2,1-4H3/t15-,17-,19+,21-,22-,23-,24+/m0/s1 |
InChIKey | ZIASJPXEBODFKN-VZFRDGCYSA-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 delta14-Triamcinolone acetonide molecule contains a total of 64 bond(s). There are 35 non-H bond(s), 5 multiple bond(s), 2 rotatable bond(s), 5 double bond(s), 2 five-membered ring(s), 3 six-membered ring(s), 1 eight-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 twelve-membered ring(s), 2 ketone(s) (aliphatic), 2 hydroxyl group(s), 1 primary alcohol(s), 1 secondary alcohol(s), and 2 ether(s) (aliphatic). Images of the chemical structure of delta14-Triamcinolone acetonide are given below:
The 2D chemical structure image of delta14-Triamcinolone acetonide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of delta14-Triamcinolone acetonide 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 delta14-Triamcinolone acetonide 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 delta14-Triamcinolone acetonide. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of delta14-Triamcinolone acetonide is provided here.
The delta14-Triamcinolone acetonide 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 delta14-Triamcinolone acetonide 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 delta14-Triamcinolone acetonide 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 Delta14-Triamcinolone acetonide Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of delta14-Triamcinolone acetonide
The SMILES string of delta14-Triamcinolone acetonide is CC5(C)OC4C=C3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O5)C(=O)CO, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the delta14-Triamcinolone acetonide.
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Structure Data File (SDF/MOL File) of delta14-Triamcinolone acetonide
The structure data file (SDF/MOL File) of delta14-Triamcinolone acetonide is available for download in the SDF page of delta14-Triamcinolone acetonide, which provides the information about the atoms, bonds, connectivity and coordinates of delta14-Triamcinolone acetonide. The delta14-Triamcinolone acetonide structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of delta14-Triamcinolone acetonide
The molecular formula of delta14-Triamcinolone acetonide is available in chemical formula page of delta14-Triamcinolone acetonide, 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 delta14-Triamcinolone acetonide
The molecular weight of delta14-Triamcinolone acetonide is available in molecular weight page of delta14-Triamcinolone acetonide, 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 delta14-Triamcinolone acetonide
The delta14-Triamcinolone acetonide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of delta14-Triamcinolone acetonide including the various registry numbers, if available:
- 9-Fluoro-11beta,21-dihydroxy-16alpha,17-(1-methylethylidenedioxy)pregna-1,4,14-triene-3,20-dione
- 779SU8O2KR
- Triamcinolone acetonide specified impurity B [EP]
- 14,15-Dehydro Triamcinolone Acetonide
- Triamcinolone acetonide 14-ene
- 1260149-96-9
- delta14-Triamcinolone acetonide
Delta14-Triamcinolone acetonide Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of delta14-Triamcinolone acetonide? |
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C24H29FO6 |
How many atoms and what are the elements included the delta14-Triamcinolone acetonide molecule? |
60 atom(s) - 29 Hydrogen atom(s), 24 Carbon atom(s), 6 Oxygen atom(s), and 1 Fluorine atom(s) |
How many chemical bonds and what kind of bonds are included the delta14-Triamcinolone acetonide structure? |
64 bond(s) - 35 non-H bond(s), 5 multiple bond(s), 2 rotatable bond(s), 5 double bond(s), 2 five-membered ring(s), 3 six-membered ring(s), 1 eight-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 twelve-membered ring(s), 2 ketone(s) (aliphatic), 2 hydroxyl group(s), 1 primary alcohol(s), 1 secondary alcohol(s), and 2 ether(s) (aliphatic) |
What’s the delta14-Triamcinolone acetonide’s molecular weight? |
432.481863 g/mol |
What’s the SMILES code of delta14-Triamcinolone acetonide? |
CC5(C)OC4C=C3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O5)C(=O)CO |
What’s the InChI string of delta14-Triamcinolone acetonide? |
InChI=1S/C24H29FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-10,15,17,19,26,28H,5-6,11-12H2,1-4H3/t15-,17-,19+,21-,22-,23-,24+/m0/s1 |
What’s the InChIKey code of delta14-Triamcinolone acetonide? |
ZIASJPXEBODFKN-VZFRDGCYSA-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).