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Demethoxyencecalin - ≥95%, high purity , CAS No.19013-07-1

COA

Grade & Purity:

≥95%

Cas Number: 19013-07-1
Molecular Weight: 202.25
PubChem CID: 177040

In stock

Item Number

D696168

Grouped product items
SKU	Size	Availability	Price
D696168-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$28.90
D696168-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$57.90
D696168-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$159.90

View related series

Fungal (844)

Basic Description

Synonyms	Demethoxyencecalin \| 1-(2,2-dimethylchromen-6-yl)ethanone \| 1-(2,2-dimethyl-2H-chromen-6-yl)ethanone
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Demethoxyencecalin is a chromene isolated from Helianthus annuus, has antifungal activities.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	2,2-dimethyl-1-benzopyrans
Alternative Parents	Acetophenones Aryl alkyl ketones Alkyl aryl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2,2-dimethyl-1-benzopyran - Acetophenone - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Benzenoid - Ketone - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
External Descriptors	Not available
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-(2,2-dimethylchromen-6-yl)ethanone
INCHI	InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3
InChIKey	ZAJTXVHECZCXLH-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC2=C(C=C1)OC(C=C2)(C)C
Isomeric SMILES	CC(=O)C1=CC2=C(C=C1)OC(C=C2)(C)C
PubChem CID	177040
Molecular Weight	202.25

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
L2411537	Certificate of Analysis	Dec 03, 2024	D696168
L2411541	Certificate of Analysis	Dec 03, 2024	D696168
L2411543	Certificate of Analysis	Dec 03, 2024	D696168
L2411549	Certificate of Analysis	Dec 03, 2024	D696168
L2411542	Certificate of Analysis	Dec 03, 2024	D696168
L2411548	Certificate of Analysis	Dec 03, 2024	D696168

Chemical and Physical Properties

Molecular Weight	202.250 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	202.099 Da
Monoisotopic Mass	202.099 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	291.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

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