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

CAS: 475-00-3 Cat. No.: V664664 Summenformel: C₃₃H₄₉NO₇ Molekulargewicht: 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

Übersicht

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

Synonyme

(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

Spezifikationen & Reinheit

Moligand™,≥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.

Note

Moligand™

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere 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
• Alternative CAS-Nummer: 475-00-3
• Molekulargewicht: 571.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 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