Molecular Weight of Delcorine (C26H41NO7)
Identification of Delcorine Chemical Compound
Chemical Formula | C26H41NO7 |
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Molecular Weight | 479.60624 g/mol |
IUPAC Name | (1S,2R,3R,4S,5R,6S,8R,12R,16S,19S,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1^{2,5}.0^{1,13}.0^{3,8}.0^{8,12}.0^{16,20}]docosan-21-ol |
SMILES String | CCN4CC2(CCC(OC)C35C6CC7C(CC1(OCOC1(C(O)C23)C45)C6C7OC)OC)COC |
InChI | InChI=1S/C26H41NO7/c1-6-27-11-23(12-29-2)8-7-17(31-4)25-15-9-14-16(30-3)10-24(18(15)19(14)32-5)26(22(25)27,34-13-33-24)21(28)20(23)25/h14-22,28H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22?,23+,24-,25+,26+/m1/s1 |
InChIKey | XTLROSDJDZHIIK-ADRDWWJJSA-N |
Molecular Weight Description
The Delcorine molecule consists of 41 Hydrogen atom(s), 26 Carbon atom(s), 1 Nitrogen atom(s), and 7 Oxygen atom(s) - a total of 75 atom(s). The molecular weight of Delcorine is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 479.60624 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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Additional Information for Identifying Delcorine Molecule
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Structure Data File (SDF/MOL File) of Delcorine
The structure data file (SDF/MOL File) of Delcorine is available for download in the SDF page of Delcorine, which provides the information on atoms, bonds, connectivity and coordinates of Delcorine. The Delcorine structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Delcorine
The molecular structure image of Delcorine is available in chemical structure page of Delcorine, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Delcorine and the chemical bonds that hold the atoms together.
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Chemical formula of Delcorine
The molecular formula of Delcorine is given in chemical formula page of Delcorine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Delcorine
In addition to the molecular weight information, the structural information of Delcorine in a textual expression is available via InChi. The full standard InChI of Delcorine is given below:
InChI=1S/C26H41NO7/c1-6-27-11-23(12-29-2)8-7-17(31-4)25-15-9-14-16(30-3)10-24(18(15)19(14)32-5)26(22(25)27,34-13-33-24)21(28)20(23)25/h14-22,28H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22?,23+,24-,25+,26+/m1/s1
It can provide a way to encode the molecular information of Delcorine 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 Delcorine is:
InChIKey=XTLROSDJDZHIIK-ADRDWWJJSA-N
It may allow easier web searches for Delcorine. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Delcorine as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Delcorine
There may be different names of the Delcorine compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- Delcorine
Delcorine Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of Delcorine? |
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C26H41NO7 |
How many atoms and what are the elements in the Delcorine molecule? |
75 atom(s) - 41 Hydrogen atom(s), 26 Carbon atom(s), 1 Nitrogen atom(s), and 7 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the Delcorine structure? |
81 bond(s) - 40 non-H bond(s), 6 rotatable bond(s), 3 five-membered ring(s), 4 six-membered ring(s), 3 seven-membered ring(s), 1 eight-membered ring(s), 4 nine-membered ring(s), 5 ten-membered ring(s), 4 eleven-membered ring(s), 3 twelve-membered ring(s), 1 tertiary amine(s) (aliphatic), 1 hydroxyl group(s), 1 secondary alcohol(s), and 6 ether(s) (aliphatic) |
What’s the molar mass of Delcorine? |
479.60624 g/mol |
What’s the SMILES format of Delcorine? |
CCN4CC2(CCC(OC)C35C6CC7C(CC1(OCOC1(C(O)C23)C45)C6C7OC)OC)COC |
What’s the InChI format of Delcorine? |
InChI=1S/C26H41NO7/c1-6-27-11-23(12-29-2)8-7-17(31-4)25-15-9-14-16(30-3)10-24(18(15)19(14)32-5)26(22(25)27,34-13-33-24)21(28)20(23)25/h14-22,28H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22?,23+,24-,25+,26+/m1/s1 |
What’s the InChIKey string of Delcorine? |
XTLROSDJDZHIIK-ADRDWWJJSA-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).