Structure & Deep Data of 14,15-Dehydro Budesonide (C25H32O6)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 14,15-Dehydro Budesonide molecule contains a total of 67 bond(s). There are 35 non-H bond(s), 5 multiple bond(s), 4 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 14,15-Dehydro Budesonide are given below:

The 2D chemical structure image of 14,15-Dehydro Budesonide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 14,15-Dehydro Budesonide 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 14,15-Dehydro Budesonide 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 14,15-Dehydro Budesonide. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 14,15-Dehydro Budesonide Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 14,15-Dehydro Budesonide

  The SMILES string of 14,15-Dehydro Budesonide is CCCC5OC4C=C3C2CCC1=CC(=O)C=CC1(C)C2C(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 14,15-Dehydro Budesonide.

• Structure Data File (SDF/MOL File) of 14,15-Dehydro Budesonide

  The structure data file (SDF/MOL File) of 14,15-Dehydro Budesonide is available for download in the SDF page of 14,15-Dehydro Budesonide, which provides the information about the atoms, bonds, connectivity and coordinates of 14,15-Dehydro Budesonide. The 14,15-Dehydro Budesonide structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 14,15-Dehydro Budesonide

  The molecular formula of 14,15-Dehydro Budesonide is available in chemical formula page of 14,15-Dehydro Budesonide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 14,15-Dehydro Budesonide

  The molecular weight of 14,15-Dehydro Budesonide is available in molecular weight page of 14,15-Dehydro Budesonide, 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 14,15-Dehydro Budesonide

  The 14,15-Dehydro Budesonide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 14,15-Dehydro Budesonide including the various registry numbers, if available:

  • (4bS,5S,6aS,6bS,9aR,10bR)-5-Hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10b,11,12-decahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
  • 11beta,21-Dihydroxy-16alpha,17-(butylidenedioxy)pregna-1,4,14-triene-3,20-dione
  • (11|A,16|A)-16,17-[Butylidenebis(oxy)]-11,21-dihydroxypregna-1,4,14-triene-3,20-dione
  • 14,15-Dehydro Budesonide
  • 131918-64-4

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14,15-Dehydro Budesonide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 14,15-Dehydro Budesonide?
C25H32O6
How many atoms and what are the elements included the 14,15-Dehydro Budesonide molecule?
63 atom(s) - 32 Hydrogen atom(s), 25 Carbon atom(s), and 6 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 14,15-Dehydro Budesonide structure?
67 bond(s) - 35 non-H bond(s), 5 multiple bond(s), 4 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 14,15-Dehydro Budesonide’s molecular weight?
428.51798 g/mol
What’s the SMILES code of 14,15-Dehydro Budesonide?
CCCC5OC4C=C3C2CCC1=CC(=O)C=CC1(C)C2C(O)CC3(C)C4(O5)C(=O)CO
What’s the InChI string of 14,15-Dehydro Budesonide?
InChI=1S/C25H32O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-11,16,18,20-22,26,28H,4-7,12-13H2,1-3H3/t16-,18-,20+,21?,22+,23-,24-,25+/m0/s1
What’s the InChIKey code of 14,15-Dehydro Budesonide?
PMZXYZGZQZYDLA-BQKXZEBKSA-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).