(E,E)-Germacra-3,7(11),9-trien-6-one - ≥95% , CAS No.6902-91-6

CAS: 6902-91-6 Cat. No.: G114057 Peso molecular: 218.34 Número EC: 834-535-3

GRADE & PURITY ≥95%

Synonyms

CAULGCQHVOVVRN-UPAULDTKSA-N | G0519 | (3E,7E)-3,7-DIMETHYL-10-(1-METHYLETHYLIDENE)-3,7-CYCLODECADIEN-1-ONE | (3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one | Germacron | SCHEMBL2551615 | (3E,7E)-3,7-Dimethyl-10-(propan-2-ylidene)cyclodec

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

CAULGCQHVOVVRN-UPAULDTKSA-N | G0519 | (3E, 7E)-3, 7-DIMETHYL-10-(1-METHYLETHYLIDENE)-3, 7-CYCLODECADIEN-1-ONE | (3E, 7E)-3, 7-dimethyl-10-propan-2-ylidenecyclodeca-3, 7-dien-1-one | Germacron | SCHEMBL2551615 | (3E, 7E)-3, 7-Dimethyl-10-(propan-2-ylidene)cyclodec

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Pubchem Sid: 504764165
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764165
• Sonrisas canónicas: CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C
• IUPAC Name: (3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one
• InChIKey: CAULGCQHVOVVRN-SWZPTJTJSA-N
• INCHI: 1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7+
• Isómeros SMILES: C/C/1=C\CC(=C(C)C)C(=O)C/C(=C/CC1)/C
• Peso molecular: 218.34
• Reaxy-Rn: 30986981
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30986981&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: Germacrane sesquiterpenoids
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Germacrane sesquiterpenoid - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as germacrane sesquiterpenoids. These are sesquiterpenoids having the germacrane skeleton, with a structure characterized by a cyclodecane ring substituted with an isopropyl and two methyl groups.
• 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

• Sensibilidad: Heat sensitive；Light sensitive
• Peso molecular: 218.330 g/mol
• XLogP3: 3.500
• 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: 363.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Referencias

1. Yunguang Wang, Shaoting Wang, Qikai Luo, Yourou Zhou, Xingchen Li, Yiwei Shang, HuaiYu Wang, Egor Y. Plotnikov, Xinyu Liao, Wei Feng, Qiang He, Juan Jin.  (2025)  Engineered macrophage-targeted germacrone-bearing nanosheet achieves sequential treatment of acute kidney injury through macrophage polarization regulation and oxidative stress.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.165602]