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Formula of Deacetyleupaserrin (C20H26O6)

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2D chemical structure image of Deacetyleupaserrin
Chemical Formula C20H26O6
Molecular Weight 362.41684 g/mol
IUPAC Name (3aR,4R,8S,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-(hydroxymethyl)but-2-enoate
SMILES String CC=C(CO)C(=O)OC1CC(=CC(O)CC(=CC2OC(=O)C(=C)C12)C)C
InChI InChI=1S/C20H26O6/c1-5-14(10-21)20(24)26-17-9-12(3)7-15(22)6-11(2)8-16-18(17)13(4)19(23)25-16/h5,7-8,15-18,21-22H,4,6,9-10H2,1-3H3/b11-8+,12-7+,14-5-/t15-,16+,17+,18-/m0/s1
InChIKey JZJVLLYTTWUPBF-CKHXMIEZSA-N
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Chemical Formula Description

The Deacetyleupaserrin molecule contains a total of 52 atom(s). There are 26 Hydrogen atom(s), 20 Carbon atom(s), and 6 Oxygen atom(s). A chemical formula of Deacetyleupaserrin can therefore be written as:

C20H26O6

The chemical formula of Deacetyleupaserrin shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

3D chemical structure image of Deacetyleupaserrin
Ball-and-stick model of Deacetyleupaserrin

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  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying Deacetyleupaserrin Molecule


  • InChI (IUPAC International Chemical Identifier) information of Deacetyleupaserrin

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Deacetyleupaserrin is:

    InChI=1S/C20H26O6/c1-5-14(10-21)20(24)26-17-9-12(3)7-15(22)6-11(2)8-16-18(17)13(4)19(23)25-16/h5,7-8,15-18,21-22H,4,6,9-10H2,1-3H3/b11-8+,12-7+,14-5-/t15-,16+,17+,18-/m0/s1

    It can provide a standard way to encode the molecular information of Deacetyleupaserrin to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Deacetyleupaserrin is:

    InChIKey=JZJVLLYTTWUPBF-CKHXMIEZSA-N

    The InChIKey may allow easier web searches for Deacetyleupaserrin, but it needs to be linked to the full InChI to get back to the original structure of the Deacetyleupaserrin since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of Deacetyleupaserrin

    The Deacetyleupaserrin compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Deacetyleupaserrin including the registry numbers is given below, if available:

    • 38456-39-2
    • Deacetyleupaserrin

Deacetyleupaserrin Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Deacetyleupaserrin?
C20H26O6
How many atoms and what are they in the Deacetyleupaserrin structure?
52 atom(s) - 26 Hydrogen atom(s), 20 Carbon atom(s), and 6 Oxygen atom(s)
How many chemical bonds and what are they in the Deacetyleupaserrin structure?
53 bond(s) - 27 non-H bond(s), 6 multiple bond(s), 4 rotatable bond(s), 6 double bond(s), 1 five-membered ring(s), 1 ten-membered ring(s), 2 ester(s) (aliphatic), 2 hydroxyl group(s), 1 primary alcohol(s), and 1 secondary alcohol(s)
What’s the molecular weight of Deacetyleupaserrin?
362.41684 g/mol
What’s the SMILES string of Deacetyleupaserrin?
CC=C(CO)C(=O)OC1CC(=CC(O)CC(=CC2OC(=O)C(=C)C12)C)C
What’s the InChI of Deacetyleupaserrin?
InChI=1S/C20H26O6/c1-5-14(10-21)20(24)26-17-9-12(3)7-15(22)6-11(2)8-16-18(17)13(4)19(23)25-16/h5,7-8,15-18,21-22H,4,6,9-10H2,1-3H3/b11-8+,12-7+,14-5-/t15-,16+,17+,18-/m0/s1
What’s the InChIKey of Deacetyleupaserrin?
JZJVLLYTTWUPBF-CKHXMIEZSA-N