Structure & Deep Data of Dracoflavan C1 (C33H30O6)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Dracoflavan C1 molecule contains a total of 75 bond(s). There are 45 non-H bond(s), 24 multiple bond(s), 4 rotatable bond(s), 24 aromatic bond(s), 7 six-membered ring(s), 1 eight-membered ring(s), 3 ten-membered ring(s), 2 twelve-membered ring(s), 1 aromatic hydroxyl(s), and 5 ether(s) (aromatic). Images of the chemical structure of Dracoflavan C1 are given below:

The 2D chemical structure image of Dracoflavan C1 is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Dracoflavan C1 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 Dracoflavan C1 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 Dracoflavan C1. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Dracoflavan C1 Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Dracoflavan C1

  The SMILES string of Dracoflavan C1 is COc4cc3OC1(CC(c2c(O1)cc(O)c(C)c2OC)c3c5OC(CCc45)c6ccccc6)c7ccccc7, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Dracoflavan C1.

• Structure Data File (SDF/MOL File) of Dracoflavan C1

  The structure data file (SDF/MOL File) of Dracoflavan C1 is available for download in the SDF page of Dracoflavan C1, which provides the information about the atoms, bonds, connectivity and coordinates of Dracoflavan C1. The Dracoflavan C1 structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Dracoflavan C1

  The molecular formula of Dracoflavan C1 is available in chemical formula page of Dracoflavan C1, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Dracoflavan C1

  The molecular weight of Dracoflavan C1 is available in molecular weight page of Dracoflavan C1, 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 Dracoflavan C1

  The Dracoflavan C1 compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Dracoflavan C1 including the various registry numbers, if available:

  • 194794-49-5
  • Dracoflavan C1

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Dracoflavan C1 Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Dracoflavan C1?
C33H30O6
How many atoms and what are the elements included the Dracoflavan C1 molecule?
69 atom(s) - 30 Hydrogen atom(s), 33 Carbon atom(s), and 6 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Dracoflavan C1 structure?
75 bond(s) - 45 non-H bond(s), 24 multiple bond(s), 4 rotatable bond(s), 24 aromatic bond(s), 7 six-membered ring(s), 1 eight-membered ring(s), 3 ten-membered ring(s), 2 twelve-membered ring(s), 1 aromatic hydroxyl(s), and 5 ether(s) (aromatic)
What’s the Dracoflavan C1’s molecular weight?
522.5877 g/mol
What’s the SMILES code of Dracoflavan C1?
COc4cc3OC1(CC(c2c(O1)cc(O)c(C)c2OC)c3c5OC(CCc45)c6ccccc6)c7ccccc7
What’s the InChI string of Dracoflavan C1?
InChI=1S/C33H30O6/c1-19-24(34)16-27-29(31(19)36-3)23-18-33(38-27,21-12-8-5-9-13-21)39-28-17-26(35-2)22-14-15-25(37-32(22)30(23)28)20-10-6-4-7-11-20/h4-13,16-17,23,25,34H,14-15,18H2,1-3H3/t23-,25+,33-/m1/s1
What’s the InChIKey code of Dracoflavan C1?
ZFQBRLKTMULEGI-FFWRNVBBSA-N

35 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).