(-)-Syringaresinol di-O-glucoside - analytical standard, ≥98% , CAS No.66791-77-3

CAS: 66791-77-3 Cat. No.: S697727 Peso molecular: 742.72

GRADE & PURITY Analytical standard, ≥98%

Synonyms

Syringaresinol diglucoside | (2R,2'R,3S,3'S,4S,4'S,5R,5'R,6S,6'S)-6,6'-((((1R,3aS,4R,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(2,6-dimethoxy-4,1-phenylene))bis(oxy))bis(2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol) | Syringaresinol 4,4`-di-O

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

(-)-Syringaresinol di-O-glucoside is a natural compound extracted from bamboo leaves

Specifications

Sinónimos

Syringaresinol diglucoside | (2R, 2'R, 3S, 3'S, 4S, 4'S, 5R, 5'R, 6S, 6'S)-6, 6'-((((1R, 3aS, 4R, 6aS)-tetrahydro-1H, 3H-furo[3, 4-c]furan-1, 4-diyl)bis(2, 6-dimethoxy-4, 1-phenylene))bis(oxy))bis(2-(hydroxymethyl)tetrahydro-2H-pyran-3, 4, 5-triol) | Syringaresinol 4, 4`-di-O

Especificaciones y pureza

analytical standard, ≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Analytical standard

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)OC
• IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6R,6aS)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: FFDULTAFAQRACT-NYYYOYJKSA-N
• INCHI: 1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16-,21-,22-,23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1
• Isómeros SMILES: COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)[C@H]3[C@@H]4CO[C@H]([C@@H]4CO3)C5=CC(=C(C(=C5)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC
• Peso molecular: 742.72
• Reaxy-Rn: 34681975
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34681975&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • Clase Lignan glycosides

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Clase: 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 O-glycosyl compounds Dimethoxybenzenes Anisoles Furofurans Phenoxy compounds Alkyl aryl ethers Monosaccharides Oxanes Tetrahydrofurans Secondary alcohols Polyols Dialkyl ethers Acetals Oxacyclic compounds Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Lignan glycoside - Furanoid lignan - Furofuran lignan skeleton - Phenolic glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - M-dimethoxybenzene - Dimethoxybenzene - Phenol ether - Methoxybenzene - Furofuran - Anisole - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Monosaccharide - Oxane - Tetrahydrofuran - Secondary alcohol - Organoheterocyclic compound - Ether - Dialkyl ether - Acetal - Polyol - Oxacycle - Organic oxygen compound - Alcohol - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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: beta-D-glucoside

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 742.700 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 12
• Exact Mass: 742.268 Da
• Monoisotopic Mass: 742.268 Da
• Topological Polar Surface Area: 254.000 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 1010.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• 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