Veratrosine - Moligand™,≥98% , CAS No.475-00-3

CAS: 475-00-3 Cat. No.: V664664 Peso molecular: 571.74

GRADE & PURITY Moligand™, ≥98%

Synonyms

(2R,3R,4S,5S,6R)-2-(((3S,6aR,11aS,11bR)-9-((S)-1-((2S,3R,5S)-3-Hydroxy-5-methylpiperidin-2-yl)ethyl)-10,11b-dimethyl-2,3,4,6,6a,11,11a,11b-octahydro-1H-benzo[a]fluoren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | Veratramine-beta-D-glucosi

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Veratrosine is a Trihydroxynapthalene reductase (THR) inhibitor and fungal plant pathogen inhibitor with activity against Curvularia lunata THR. Veratrosine interacts with THR, an enzyme in the DHN melanin biosynthesis pathway of Curvularia lunata. Veratrosine can be used for the research of leaf blight of rice, brown spot of rice, and blast disease of foxtail millet.

Specifications

Sinónimos

(2R, 3R, 4S, 5S, 6R)-2-(((3S, 6aR, 11aS, 11bR)-9-((S)-1-((2S, 3R, 5S)-3-Hydroxy-5-methylpiperidin-2-yl)ethyl)-10, 11b-dimethyl-2, 3, 4, 6, 6a, 11, 11a, 11b-octahydro-1H-benzo[a]fluoren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3, 4, 5-triol | Veratramine-beta-D-glucosi

Especificaciones y pureza

Moligand™, ≥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

Moligand™

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1CC(C(NC1)C(C)C2=C(C3=C(C=C2)C4CC=C5CC(CCC5(C4C3)C)OC6C(C(C(C(O6)CO)O)O)O)C)O
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3S,6aR,11aS,11bR)-9-[(1S)-1-[(2S,3R,5S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: WXQHVBNTINGJJR-NIFRNHPISA-N
• INCHI: 1S/C33H49NO7/c1-16-11-26(36)28(34-14-16)18(3)21-7-8-22-23-6-5-19-12-20(9-10-33(19,4)25(23)13-24(22)17(21)2)40-32-31(39)30(38)29(37)27(15-35)41-32/h5,7-8,16,18,20,23,25-32,34-39H,6,9-15H2,1-4H3/t16-,18-,20-,23-,25-,26+,27+,28-,29+,30-,31+,32+,33-/m0/s1
• Isómeros SMILES: C[C@H]1C[C@H]([C@@H](NC1)[C@@H](C)C2=C(C3=C(C=C2)[C@@H]4CC=C5C[C@H](CC[C@@]5([C@H]4C3)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O
• CAS alternativo: 475-00-3
• Peso molecular: 571.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Hexoses O-glycosyl compounds Indanes Aralkylamines Piperidines Oxanes 1,2-aminoalcohols Secondary alcohols Polyols Dialkylamines Azacyclic compounds Oxacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Indane - Aralkylamine - Monosaccharide - Oxane - Piperidine - 1,2-aminoalcohol - Secondary alcohol - Azacycle - Acetal - Secondary aliphatic amine - Organoheterocyclic compound - Oxacycle - Secondary amine - Polyol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Alcohol - Primary alcohol - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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 sensitive
• Peso molecular: 571.700 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 571.351 Da
• Monoisotopic Mass: 571.351 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 962.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 13
• 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