| Sonrisas canónicas | CC1=CC(OC1=O)OC=C2C3CC4=C(C3OC2=O)C(CCC4)(C)C |
|---|---|
| IUPAC Name | (3E,3aR,8bS)-8,8-dimethyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one |
| InChIKey | QXTUQXRFEBHUBA-DYLOANJQSA-N |
| INCHI | 1S/C19H22O5/c1-10-7-14(23-17(10)20)22-9-13-12-8-11-5-4-6-19(2,3)15(11)16(12)24-18(13)21/h7,9,12,14,16H,4-6,8H2,1-3H3/b13-9+/t12-,14-,16+/m1/s1 |
| Isómeros SMILES | CC1=C[C@@H](OC1=O)O/C=C/2\[C@H]3CC4=C([C@H]3OC2=O)C(CCC4)(C)C |
| PubChem CID | 15102684 |
| Peso molecular | 330.38 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Clase | Prenol lipids |
| Subclass | Terpene lactones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Strigolactones |
| Alternative Parents | Gamma butyrolactones Dicarboxylic acids and derivatives Butenolides Vinylogous esters Tetrahydrofurans Enoate esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Strigolactone - 2-furanone - Dicarboxylic acid or derivatives - Gamma butyrolactone - Dihydrofuran - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Carboxylic acid ester - Lactone - Oxacycle - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as strigolactones. These are terpene lactones structurally characterized by the presence of an indeno[1,2-b]furan and a 2,5-dihydrofuran-2-one linked together to form a 3-methyl-5-{8-methyl-2-oxo-indeno[1,2-b]furan-3-ylidene]methoxy}-2,5-dihydrofuran-2-one skeleton. |
| External Descriptors | Strigolactones |
| Peso molecular | 330.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 330.147 Da |
| Monoisotopic Mass | 330.147 Da |
| Topological Polar Surface Area | 61.800 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 709.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
