Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Allosecurinin Allosecurinine (Phyllochrysine) is a Securinega alkaloid isolated from M.indica and M.discoidea with antifungal activity.
| ALogP | 1.449 |
|---|---|
| hba_count | 2 |
| Sonrisas canónicas | C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4 |
|---|---|
| IUPAC Name | 14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one |
| InChIKey | SWZMSZQQJRKFBP-UHFFFAOYSA-N |
| INCHI | 1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2 |
| Isómeros SMILES | C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4 |
| Peso molecular | 217.26 |
| Reaxy-Rn | 1078773 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1078773&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Indolizidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolizidines |
| Alternative Parents | Azepines Piperidines N-alkylpyrrolidines Butenolides Enoate esters Trialkylamines Lactones Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Indolizidine - Azepine - 2-furanone - Piperidine - N-alkylpyrrolidine - Dihydrofuran - Pyrrolidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indolizidines. These are polycyclic compounds containing an indolizidine, which is a bicyclic heterocycle containing a saturated six-member ring fused to a saturated five-member ring, one of the bridging atoms being nitrogen. |
| External Descriptors | Not available |
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| Sensibilidad | light sensitive |
|---|---|
| DMSO (mg/ml) Solubilidad máxima | 100 |
| DMSO (mM) Solubilidad máxima | 460.278007916782 |
| Agua (mg/ml) Solubilidad máxima | -1 |
| Peso molecular | 217.260 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 217.11 Da |
| Monoisotopic Mass | 217.11 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 426.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |