Germacrene D - ≥90%, a solution in heptane , CAS No.23986-74-5

CAS: 23986-74-5 Cat. No.: G646231 Formula: C₁₅H₂₄ Molecular Weight: 204.35 EC Number: 639-624-9 PubChem CID: 5317570

GRADE & PURITY ≥90%, a solution in heptane

Synonyms

1(10),4(14),5-Germacratriene

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Germacrene D is supplied as a solution in heptane. To change the solvent, simply evaporate the heptane under a gentle stream of nitrogen and immediately add the solvent of choice. Germacrene D is slightly soluble in chloroform and DMSO.

In Vitro

Germacrene D shows antibacterial and antifungal activities, the mechanism of antimicrobial action of it may be related to permeabilization of the cells and disruption of the membrane integrity. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Oil

IC50& Target:IC50: bacterial

Specifications

Synonyms

1(10),4(14),5-Germacratriene

Specifications & Purity

≥90%, a solution in heptane

Biochemical and Physiological Mechanisms

Germacrene D has antibacterial and antifungal activities and can be used as an adjuvant agent in the application of aminoglycosides and azoles.

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥90%

Names and Identifiers

Canonical Smiles

CC1=CCCC(=C)C=CC(CC1)C(C)C

IUPAC Name

(1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene

InChIKey

GAIBLDCXCZKKJE-RXJOXMPGSA-N

INCHI

1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1

Isomeric SMILES

C/C/1=C\CCC(=C)/C=C/[C@@H](CC1)C(C)C

PubChem CID

5317570

Molecular Weight

204.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Germacrane sesquiterpenoids
• Alternative Parents: Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Germacrane sesquiterpenoid - Branched unsaturated hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homomonocyclic compound
• Description: 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: germacrene D

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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 204.350 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 204.188 Da
• Monoisotopic Mass: 204.188 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 266.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Frequently Asked Questions

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 23986-74-5, the molecular formula is C15H24, and the molecular weight is 204.35 g/mol. InChIKey GAIBLDCXCZKKJE-RXJOXMPGSA-N.

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.