Structure & Deep Data of Olean-12-en-3-one # (C30H48O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Olean-12-en-3-one # molecule contains a total of 83 bond(s). There are 35 non-H bond(s), 2 multiple bond(s), 2 double bond(s), 5 six-membered ring(s), 4 ten-membered ring(s), and 1 ketone(s) (aliphatic). Images of the chemical structure of Olean-12-en-3-one # are given below:

The 2D chemical structure image of Olean-12-en-3-one # is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Olean-12-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 Olean-12-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 Olean-12-en-3-one #. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Olean-12-en-3-one # Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Olean-12-en-3-one #

  The SMILES string of Olean-12-en-3-one # is CC5(C)CCC4(C)CCC2(C)C(=CCC3C1(C)CCC(=O)C(C)(C)C1CCC23C)C4C5, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Olean-12-en-3-one #.

• Structure Data File (SDF/MOL File) of Olean-12-en-3-one #

  The structure data file (SDF/MOL File) of Olean-12-en-3-one # is available for download in the SDF page of Olean-12-en-3-one #, which provides the information about the atoms, bonds, connectivity and coordinates of Olean-12-en-3-one #. The Olean-12-en-3-one # structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Olean-12-en-3-one #

  The molecular formula of Olean-12-en-3-one # is available in chemical formula page of Olean-12-en-3-one #, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Olean-12-en-3-one #

  The molecular weight of Olean-12-en-3-one # is available in molecular weight page of Olean-12-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.

• Other names (synonyms) or registry numbers of Olean-12-en-3-one #

  The Olean-12-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 Olean-12-en-3-one # including the various registry numbers, if available:

  • 4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
  • 4,4,6a,6b,8a,11,11,14b-Octamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydro-2H-picene-3-one
  • 4,4,6a,6b,8a,11,11,14b-Octamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydro-2H-picen-3-one
  • Olean-12-en-3-one #

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Olean-12-en-3-one # Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Olean-12-en-3-one #?
C30H48O
How many atoms and what are the elements included the Olean-12-en-3-one # molecule?
79 atom(s) - 48 Hydrogen atom(s), 30 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Olean-12-en-3-one # structure?
83 bond(s) - 35 non-H bond(s), 2 multiple bond(s), 2 double bond(s), 5 six-membered ring(s), 4 ten-membered ring(s), and 1 ketone(s) (aliphatic)
What’s the Olean-12-en-3-one #’s molecular weight?
424.70152 g/mol
What’s the SMILES code of Olean-12-en-3-one #?
CC5(C)CCC4(C)CCC2(C)C(=CCC3C1(C)CCC(=O)C(C)(C)C1CCC23C)C4C5
What’s the InChI string of Olean-12-en-3-one #?
InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-23H,10-19H2,1-8H3
What’s the InChIKey code of Olean-12-en-3-one #?
LIIFBMGUDSHTOU-UHFFFAOYSA-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).