Tuberostemonine - ≥98% , CAS No.6879-01-2

CAS: 6879-01-2 Cat. No.: T418564 Fórmula: C₂₂H₃₃NO₄ Peso molecular: 375.5 Número EC: 110-077-3 PubChem CID: 100781

CALIDAD & PUREZA ≥98%

Synonyms

Furo[2,3-h]pyrrolo[3,2,1-jk][1]benzazepin-10(2H)-one, 8-ethyldodecahydro-11-methyl-2-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-, (2S,7aR,8R,8aS,11S,11aS,11bR,11cR)- | (2S,31R,7AR,8R,8aS,11S,11aS,11bR)-8-Ethyl-11-methyl-2-((2S,4S)-4-methyl-5-oxotetrahy

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Tuberstemonine exhibits relatively higher intestinal permeabilities. Tuberstemonine acts in part as an open-channel blocker at the crayfish neuromuscular junction. Tuberstemonine has nematicidal activity, it is effective against pine wood nematode in plant extracts.

Especificaciones

Sinónimos

Furo[2,3-h]pyrrolo[3,2,1-jk][1]benzazepin-10(2H)-one, 8-ethyldodecahydro-11-methyl-2-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-, (2S,7aR,8R,8aS,11S,11aS,11bR,11cR)- | (2S,31R,7AR,8R,8aS,11S,11aS,11bR)-8-Ethyl-11-methyl-2-((2S,4S)-4-methyl-5-oxotetrahy

Especificaciones y pureza

≥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.

Pureza

≥98%

Propiedades del producto

ALogP

3.603

Enlace rotable

2

Nombres e identificadores

Pubchem Sid

488187218

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187218

Sonrisas canónicas

CCC1C2CCCCN3C2C(CC3C4CC(C(=O)O4)C)C5C1OC(=O)C5C

IUPAC Name

(1R,3S,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one

InChIKey

GYOGHROCTSEKDY-JJDZUBOLSA-N

INCHI

1S/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3/t11-,12-,13+,14+,15+,16-,17-,18+,19+,20-/m0/s1

Isómeros SMILES

CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](C(=O)O4)C)[C@@H]5[C@H]1OC(=O)[C@H]5C

PubChem CID

100781

Peso molecular

375.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Stemona alkaloids
      • Subclass Stemoamide-type alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Stemona alkaloids
• Subclass: Stemoamide-type alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Stichoneurine-type alkaloids
• Alternative Parents: Stenine-type alkaloids Indoles and derivatives Azepanes Dicarboxylic acids and derivatives Gamma butyrolactones N-alkylpyrrolidines Tetrahydrofurans Amino acids and derivatives Trialkylamines Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Stichoneurine-type alkaloid - Stenine backbone - Indole or derivatives - Azepane - Dicarboxylic acid or derivatives - Gamma butyrolactone - N-alkylpyrrolidine - Pyrrolidine - Tetrahydrofuran - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as stichoneurine-type alkaloids. These are stemona alkaloids with a structure that typically contains a 3-methyloxolan-2-one and a 5-propyloxolan-2-one moieties that are attached to the characteristic pyrrolo[1,2-a]azepine skeleton at the C3 and C9 position, respectively.
• External Descriptors: alkaloid

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive；Moisture sensitive
• DMSO (mg/ml) Solubilidad máxima: 75
• DMSO (mM) Solubilidad máxima: 199.732773527642
• Peso molecular: 375.500 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 375.241 Da
• Monoisotopic Mass: 375.241 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 636.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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