Formula of Cephalotaxine (C18H21NO4)
Identification of Cephalotaxine Chemical Compound
| Chemical Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.36364 g/mol |
| IUPAC Name | (2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0^{2,6}.0^{6,10}.0^{15,19}]icosa-1(20),4,13,15(19)-tetraen-3-ol |
| SMILES String | COC5=CC14CCCN1CCc3cc2OCOc2cc3C4C5O |
| InChI | InChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1 |
| InChIKey | YMNCVRSYJBNGLD-KURKYZTESA-N |
Chemical Formula Description
The Cephalotaxine molecule contains a total of 44 atom(s). There are 21 Hydrogen atom(s), 18 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s). A chemical formula of Cephalotaxine can therefore be written as:
C18H21NO4
The chemical formula of Cephalotaxine 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.
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Additional Information for Identifying Cephalotaxine Molecule
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Structure Data File (SDF/MOL File) of Cephalotaxine
The structure data file (SDF/MOL File) of Cephalotaxine is available for download in the SDF page of Cephalotaxine providing the information about the atoms, bonds, connectivity and coordinates of Cephalotaxine, which is not completely available in the chemical formula representation. The Cephalotaxine structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Cephalotaxine
The chemical structure image of Cephalotaxine is available in chemical structure page of Cephalotaxine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Cephalotaxine and the chemical bonds that hold the atoms together.
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Molecular weight of Cephalotaxine
The molecular weight of Cephalotaxine is available in molecular weight page of Cephalotaxine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Cephalotaxine.
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InChI (IUPAC International Chemical Identifier) information of Cephalotaxine
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Cephalotaxine is:
InChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1
It can provide a standard way to encode the molecular information of Cephalotaxine 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 Cephalotaxine is:
InChIKey=YMNCVRSYJBNGLD-KURKYZTESA-N
The InChIKey may allow easier web searches for Cephalotaxine, but it needs to be linked to the full InChI to get back to the original structure of the Cephalotaxine since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Cephalotaxine
The Cephalotaxine compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Cephalotaxine including the registry numbers is given below, if available:
- 30255-03-9
- 26909-63-7
- [1S-(1|A,3aS*,14b|A)]-1,5,6,8,9,14b-Hexahydro-2-methoxy-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol
- (2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0^{2,6}.0^{6,10}.0^{15,19}]icosa-1(13),4,14,19-tetraen-3-ol
- (2S,3S,6R)-4-METHOXY-16,18-DIOXA-10-AZAPENTACYCLO[11.7.0.0(2),?.0?,(1)?.0(1)?,(1)?]ICOSA-1(20),4,13,15(19)-TETRAEN-3-OL
- (11bS,12S,14aR)-13-methoxy-2,3,5,6,11b,12-hexahydro-1H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]cyclopenta[b]pyrrolo[1,2-a]azepin-12-ol
- C-19439
- S-7655
- HY-N0838
- Cephalotaxine (8CI)(9CI)
- 84MI6OYN4Z
- (1S,3aR,14bS)-2-methoxy-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol
- (-)-Cephalotaxine
- Cephalotaxlen
- 24316-19-6
- Cephalotaxine
Cephalotaxine Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Cephalotaxine? |
|---|
| C18H21NO4 |
| How many atoms and what are they in the Cephalotaxine structure? |
| 44 atom(s) - 21 Hydrogen atom(s), 18 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s) |
| How many chemical bonds and what are they in the Cephalotaxine structure? |
| 48 bond(s) - 27 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 3 five-membered ring(s), 1 six-membered ring(s), 1 seven-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 eleven-membered ring(s), 1 tertiary amine(s) (aliphatic), 1 hydroxyl group(s), 1 secondary alcohol(s), 1 ether(s) (aliphatic), 2 ether(s) (aromatic), and 1 Pyrrolidine(s) |
| What’s the molecular weight of Cephalotaxine? |
| 315.36364 g/mol |
| What’s the SMILES string of Cephalotaxine? |
| COC5=CC14CCCN1CCc3cc2OCOc2cc3C4C5O |
| What’s the InChI of Cephalotaxine? |
| InChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1 |
| What’s the InChIKey of Cephalotaxine? |
| YMNCVRSYJBNGLD-KURKYZTESA-N |
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