gamma-Lumicolchicine - ≥99% , CAS No.6901-14-0

CAS: 6901-14-0 Cat. No.: G1285941 Peso molecular: 399.44 Número EC: 230-009-7 PubChem CID: 110937

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C4C3C=C(C4=O)OC)OC)OC)OC
• IUPAC Name: N-(3,4,5,14-tetramethoxy-13-oxo-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl)acetamide
• InChIKey: VKPVZFOUXUQJMW-UHFFFAOYSA-N
• INCHI: 1S/C22H25NO6/c1-10(24)23-13-7-6-11-8-15(27-3)21(28-4)22(29-5)16(11)17-12-9-14(26-2)20(25)18(12)19(13)17/h8-9,12-13,18H,6-7H2,1-5H3,(H,23,24)
• Isómeros SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C4C3C=C(C4=O)OC)OC)OC)OC
• PubChem CID: 110937
• Peso molecular: 399.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Lumicolchicine alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Lumicolchicine alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Lumicolchicine alkaloids
• Alternative Parents: Anisoles Alkyl aryl ethers Acetamides Secondary carboxylic acid amides Ketones Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Lumicolchicine alkaloid skeleton - Anisole - Alkyl aryl ether - Benzenoid - Acetamide - Carboxamide group - Ketone - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as lumicolchicine alkaloids. These are alkaloids with a structure based on the tetracyclic lumicolchicine skeleton. They can derive from a colchicine precursor where the cycloheptatriene ring is replaced with a bicyclo[3.2.0]hepta-2,6-diene ring system.
• 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

• Peso molecular: 399.400 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 399.168 Da
• Monoisotopic Mass: 399.168 Da
• Topological Polar Surface Area: 83.100 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 758.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1