Lobetyolin - analytical standard, ≥98% , CAS No.136085-37-5

CAS: 136085-37-5 Cat. No.: L115701 Peso molecular: 396.43

GRADE & PURITY Analytical standard, ≥98%

Synonyms

s9488 | AS-56227 | AKOS025402302 | CID 53486204 | Lobetyolin | DTXSID20704871 | (2R,3R,4S,5S,6R)-2-[(4E,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | (4E,12E)-1,7-Dihydroxytetradeca-4,12-diene-8,10-diyn-6-yl

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Lobetyolin (Praeruptorin D) is compound derived from Codonopsis pilosula with antioxidative effect.

Specifications

Sinónimos

s9488 | AS-56227 | AKOS025402302 | CID 53486204 | Lobetyolin | DTXSID20704871 | (2R, 3R, 4S, 5S, 6R)-2-[(4E, 12E)-1, 7-dihydroxytetradeca-4, 12-dien-8, 10-diyn-6-yl]oxy-6-(hydroxymethyl)oxane-3, 4, 5-triol | (4E, 12E)-1, 7-Dihydroxytetradeca-4, 12-diene-8, 10-diyn-6-yl

Especificaciones y pureza

analytical standard, ≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

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: CC=CC#CC#CC(C(C=CCCCO)OC1C(C(C(C(O1)CO)O)O)O)O
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(4E,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: MMMUDYVKKPDZHS-UPPVCQNNSA-N
• INCHI: 1S/C20H28O8/c1-2-3-4-5-7-10-14(23)15(11-8-6-9-12-21)27-20-19(26)18(25)17(24)16(13-22)28-20/h2-3,8,11,14-26H,6,9,12-13H2,1H3/b3-2+,11-8+/t14?,15?,16-,17-,18+,19-,20-/m1/s1
• Isómeros SMILES: C/C=C/C#CC#CC(C(/C=C/CCCO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
• CAS alternativo: 129277-38-9
• Peso molecular: 396.43
• Reaxy-Rn: 38014195
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38014195&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acyl glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acyl glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acyl glycosides of mono- and disaccharides
• Alternative Parents: Long-chain fatty alcohols Hexoses Alkyl glycosides O-glycosyl compounds Oxanes Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acyl glycoside of mono- or disaccharide - Long chain fatty alcohol - Alkyl glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Fatty alcohol - Oxane - Monosaccharide - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. These are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
• 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

Propiedades químicas y físicas

• Sensibilidad: Light and moisture sensitive
• Peso molecular: 396.400 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 396.178 Da
• Monoisotopic Mass: 396.178 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 646.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1