≥95%(LC/MS-ELSD) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
Description
Natural product derived from plant source.}
| カノニカル・スマイル | C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O)O)O)O)(CO)O |
|---|---|
| IUPAC Name | 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one |
| InChIKey | SXPBJYHKMRWZNA-ZITSYKRSSA-N |
| INCHI | 1S/C20H24O12/c21-7-20(27)8-29-19(17(20)26)28-6-12-14(23)15(24)16(25)18(32-12)30-10-3-1-9-2-4-13(22)31-11(9)5-10/h1-5,12,14-19,21,23-27H,6-8H2/t12-,14-,15+,16-,17+,18-,19-,20-/m1/s1 |
| 異性体SMILES | C1[C@@]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O)O)O)O)(CO)O |
| 分子量 | 456.4 |
| Reaxy-Rn | 25970635 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25970635&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 | Phenylpropanoids and polyketides |
| 分類 | Coumarins and derivatives |
| Subclass | Coumarin glycosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarin glycosides |
| Alternative Parents | Phenolic glycosides Disaccharides O-glycosyl compounds 1-benzopyrans Pyranones and derivatives Benzenoids Oxanes Tetrahydrofurans Tertiary alcohols Heteroaromatic compounds Secondary alcohols Lactones Acetals Polyols Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin-7-o-glycoside - Coumarin o-glycoside - Phenolic glycoside - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Oxane - Tetrahydrofuran - Tertiary alcohol - Heteroaromatic compound - Secondary alcohol - Lactone - Acetal - Polyol - Organoheterocyclic compound - Oxacycle - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. |
| External Descriptors | Not available |
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| 分子量 | 456.400 g/mol |
|---|---|
| XLogP3 | -2.000 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Exact Mass | 456.127 Da |
| Monoisotopic Mass | 456.127 Da |
| Topological Polar Surface Area | 185.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 702.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
