Structure & Deep Data of Stellasterol (C28H46O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Stellasterol molecule contains a total of 78 bond(s). There are 32 non-H bond(s), 2 multiple bond(s), 4 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 hydroxyl group(s), and 1 secondary alcohol(s). Images of the chemical structure of Stellasterol are given below:

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

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Additional Information for Identifying Stellasterol Molecule

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

  The SMILES string of Stellasterol is CC(C)C(C)C=CC(C)C3CCC4C2=CCC1CC(O)CCC1(C)C2CCC34C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Stellasterol.

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

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

• Chemical formula of Stellasterol

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

• Molecular weight of Stellasterol

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

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

  • 17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
  • 4CN-1472
  • Stellasterol

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Stellasterol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Stellasterol?
C28H46O
How many atoms and what are the elements included the Stellasterol molecule?
75 atom(s) - 46 Hydrogen atom(s), 28 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Stellasterol structure?
78 bond(s) - 32 non-H bond(s), 2 multiple bond(s), 4 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 hydroxyl group(s), and 1 secondary alcohol(s)
What’s the Stellasterol’s molecular weight?
398.66424 g/mol
What’s the SMILES code of Stellasterol?
CC(C)C(C)C=CC(C)C3CCC4C2=CCC1CC(O)CCC1(C)C2CCC34C
What’s the InChI string of Stellasterol?
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3
What’s the InChIKey code of Stellasterol?
QOXPZVASXWSKKU-UHFFFAOYSA-N

23 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).