Eleutheroside E - analytical standard, ≥98% , CAS No.39432-56-9

CAS: 39432-56-9 Cat. No.: E115731 分子式: C₃₄H₄₆O₁₈ 分子量: 742.72 EC番号: 609-679-3

グレード＆純度 Analytical standard, ≥98%

Synonyms

[(1r,3ar,4s,6as)-tetrahydro-1h,3h-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxy-4,1-phenylene) bis-beta-d-glucopyranoside | ELEUTHEROSIDE E [USP-RS] | HY-N0272 | AKOS030526142 | AS-56698 | 4-((1R,3AS,4S,6AR)-4-(4-(.BETA.-L-GLUCOPYRANOSYLOXY)-3,5-DIMETHOXYPH

Storage

Store at 2-8°C

Shipped In

Wet ice

仕様

同義語

[(1r,3ar,4s,6as)-tetrahydro-1h,3h-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxy-4,1-phenylene) bis-beta-d-glucopyranoside | ELEUTHEROSIDE E [USP-RS] | HY-N0272 | AKOS030526142 | AS-56698 | 4-((1R,3AS,4S,6AR)-4-(4-(.BETA.-L-GLUCOPYRANOSYLOXY)-3,5-DIMETHOXYPH

仕様と純度

analytical standard, ≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

分析用標準物質

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

パブケム・シド

528770162

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528770162

カノニカル・スマイル

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-[(3S,3aR,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-JSGUJALWSA-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

異性体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

分子量

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
    • 分類 Lignan glycosides

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• 分類: 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 Phenoxy compounds Furofurans Anisoles Alkyl aryl ethers Oxanes Monosaccharides Oxolanes Secondary alcohols Oxacyclic compounds Polyols Acetals Dialkyl ethers 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 - Phenoxy compound - Methoxybenzene - Furofuran - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Monosaccharide - Oxane - Oxolane - Secondary alcohol - Organoheterocyclic compound - Ether - Dialkyl ether - Acetal - Polyol - Oxacycle - Primary alcohol - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: 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: Not available

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

関連ターゲット（非人間）

Caenorhabditis elegans (1055 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 分子量: 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