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

CAS: 475-00-3 Cat. No.: V664664 Formule: C₃₃H₄₉NO₇ Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

(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

Spécifications et pureté

Moligand™,≥98%

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Pureté

≥98%

Noms et identifiants

Sourires canoniques

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

Isomères 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 alternatif

475-00-3

Poids moléculaire

571.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 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