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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1(C(=C(OC2=C1C(=O)OC3=CC=CC=C32)N)C#N)C(OC)OC |
|---|---|
| IUPAC Name | 2-amino-4-(dimethoxymethyl)-4-methyl-5-oxopyrano[3,2-c]chromene-3-carbonitrile |
| InChIKey | KBOFHVOIGMXURS-UHFFFAOYSA-N |
| INCHI | 1S/C17H16N2O5/c1-17(16(21-2)22-3)10(8-18)14(19)24-13-9-6-4-5-7-11(9)23-15(20)12(13)17/h4-7,16H,19H2,1-3H3 |
| Isomeric SMILES | CC1(C(=C(OC2=C1C(=O)OC3=CC=CC=C32)N)C#N)C(OC)OC |
| PubChem CID | 4358523 |
| Molecular Weight | 328.32 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Steroid lactones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Steroid lactones |
| Alternative Parents | 7-oxosteroids Angular pyranocoumarins 1-benzopyrans Pyranones and derivatives Benzenoids Vinylogous esters Heteroaromatic compounds Lactones Ketene acetals Oxacyclic compounds Nitriles Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Steroid lactone - Oxosteroid - 7-oxosteroid - Angular pyranocoumarin - Pyranocoumarin - Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Lactone - Acetal - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as steroid lactones. These are sterol lipids containing a lactone moiety linked to the steroid skeleton. |
| External Descriptors | Not available |
| Molecular Weight | 328.320 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 328.106 Da |
| Monoisotopic Mass | 328.106 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 670.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-amino-4-(dimethoxymethyl)-4-methyl-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile , CAS No.186308-67-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)