≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| 정식 스마일 | COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC5C(C(C(C(O5)CO)O)O)O)OC |
|---|---|
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChIKey | WEKCEGQSIIQPAQ-IRBNZIFYSA-N |
| INCHI | 1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20+,22+,23-,24+,25+,26+,28-/m0/s1 |
| 이성체 SMILES | COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC |
| 대체 CAS | 7374-79-0 |
| PubChem CID | 443024 |
| MeSH 용어 | acanthoside B |
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 | Lignans, neolignans and related compounds |
| 분류 | Lignan glycosides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Lignan glycosides |
| Alternative Parents | Furofuran lignans Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides Alkyl glycosides Hexoses O-glycosyl compounds Dimethoxybenzenes Methoxyphenols Phenoxy compounds Furofurans Anisoles Alkyl aryl ethers Oxanes Tetrahydrofurans Secondary alcohols Polyols Acetals Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Primary alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Lignan glycoside - Furanoid lignan - Furofuran lignan skeleton - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - Hexose monosaccharide - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Furofuran - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Phenol - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Oxane - Tetrahydrofuran - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Dialkyl ether - Ether - Acetal - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones. |
| External Descriptors | Lignan glycosides |
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| 분자량 | 580.600 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 9 |
| Exact Mass | 580.216 Da |
| Monoisotopic Mass | 580.216 Da |
| Topological Polar Surface Area | 175.000 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 807.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| 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 |
