Cyperotundone - ≥95% , CAS No.3466-15-7

CAS: 3466-15-7 Cat. No.: C412897 Peso molecular: 218.33

GRADE & PURITY ≥95%

Synonyms

(+)-Cyperotundone | 3H-3a,7-Methanoazulen-2(4H)-one, 5,6,7.alpha.,8-tetrahydro-1,4.alpha.,9,9-tetramethyl-, (+)- | HY-N3004 | GIGKXOAUYMWORB-OSQNNJELSA-N | E88749 | (3aR,4R,7R)-1,4,9,9-Tetramethyl-3,4,5,6,7,8-hexahydro-2H-3a,7-methanoazulen-2-one | (3aR,4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Cyperotundone (CYT) is an active constituent in Chuanxiong Rhizoma and Cyperi Rhizoma (CRCR) for treating migraine.

Specifications

Sinónimos

(+)-Cyperotundone | 3H-3a, 7-Methanoazulen-2(4H)-one, 5, 6, 7.alpha., 8-tetrahydro-1, 4.alpha., 9, 9-tetramethyl-, (+)- | HY-N3004 | GIGKXOAUYMWORB-OSQNNJELSA-N | E88749 | (3aR, 4R, 7R)-1, 4, 9, 9-Tetramethyl-3, 4, 5, 6, 7, 8-hexahydro-2H-3a, 7-methanoazulen-2-one | (3aR, 4

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

Cyperotundone (CYT) is an active constituent in Chuanxiong Rhizoma and Cyperi Rhizoma (CRCR) for treating migraine.

Condiciones de almacenamiento de almacenamiento

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

≥95%

Nombres e identificadores

• Pubchem Sid: 504767053
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767053
• Sonrisas canónicas: CC1CCC2CC3=C(C(=O)CC13C2(C)C)C
• IUPAC Name: (1R,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-en-3-one
• InChIKey: GIGKXOAUYMWORB-OSQNNJELSA-N
• INCHI: 1S/C15H22O/c1-9-5-6-11-7-12-10(2)13(16)8-15(9,12)14(11,3)4/h9,11H,5-8H2,1-4H3/t9-,11-,15+/m1/s1
• Isómeros SMILES: C[C@@H]1CC[C@@H]2CC3=C(C(=O)C[C@]13C2(C)C)C
• Peso molecular: 218.33
• Reaxy-Rn: 2617274
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2617274&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Patchoulane sesquiterpenoid - Sesquiterpenoid - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• 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

• Solubilidad: Solubility (25°C) In vitro
• Peso molecular: 218.330 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 218.167 Da
• Monoisotopic Mass: 218.167 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 402.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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