Secoxyloganin - ≥98% , CAS No.58822-47-2

CAS: 58822-47-2 Cat. No.: S418601 Summenformel: C₁₇H₂₄O₁₁ Molekulargewicht: 404.37 PubChem CID: 162868

GRADE & PURITY ≥98%

Synonyms

2H-PYRAN-4-ACETIC ACID, 3-ETHENYL-2-(beta-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-(METHOXYCARBONYL)-, (2S,3R,4S)- | MFCD20260822 | [3-Ethenyl-2-(hexopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetic acid | 2H-PYRAN-4-ACETIC ACID, 3-ETHENYL-2-(

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Product Describtion:

Secoxyloganin possesses hepato- protective effect. Secoxyloganin possesses antibacterial activity. Secoxyloganin has cytotoxic activity against UACC-62 cell line. Secoxyloganin possesses the perfect protective effect on PRRSV infected cell and with the minimum protection concentration of 25 Âμg/mL.Secoxyloganin is a secoiridoids that is extensively used in synthetic and biosynthetic studies of monoterpene indole alkaloids and related natural products.

Specifications

Synonyme

2H-PYRAN-4-ACETIC ACID, 3-ETHENYL-2-(beta-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-(METHOXYCARBONYL)-, (2S,3R,4S)- | MFCD20260822 | [3-Ethenyl-2-(hexopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetic acid | 2H-PYRAN-4-ACETIC ACID, 3-ETHENYL-2-(

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528771960
• Kanonisches Lächeln: COC(=O)C1=COC(C(C1CC(=O)O)C=C)OC2C(C(C(C(O2)CO)O)O)O
• IUPAC Name: 2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid
• InChIKey: MQLSOVRLZHTATK-PEYNGXJCSA-N
• INCHI: 1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1
• Isomere SMILES: COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC(=O)O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
• PubChem CID: 162868
• Molekulargewicht: 404.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Terpene glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Terpene glycosides
• Alternative Parents: O-glycosyl compounds Iridoids and derivatives Monocyclic monoterpenoids Dicarboxylic acids and derivatives Monosaccharides Oxanes Methyl esters Vinylogous esters Enoate esters Secondary alcohols Acetals Oxacyclic compounds Carboxylic acids Polyols Organic oxides Primary alcohols Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Terpene glycoside - Glycosyl compound - Secoiridoid-skeleton - O-glycosyl compound - Monocyclic monoterpenoid - Monoterpenoid - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Secondary alcohol - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Polyol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary alcohol - Carbonyl group - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Molekulargewicht: 404.400 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 404.132 Da
• Monoisotopic Mass: 404.132 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 618.000
• 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