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

CAS: 39432-56-9 Cat. No.: E115731 분자식: C₃₄H₄₆O₁₈ 분자량: 742.72 EC 번호: 609-679-3

등급 & 순도 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

사양

동의어

[(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

사양 및 순도

analytical standard, ≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

분석 표준물질

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

Pubchem Sid

528770162

Pubchem Sid Url

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

정식 스마일

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

이성체 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

분자량

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
    • 분류 Lignan glycosides

• 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 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
• 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: 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

관련 대상(비인간)

Caenorhabditis elegans (1055 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 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