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Khelloside - ≥95% (LC/MS-ELSD), high purity , CAS No.17226-75-4

COA

Grade & Purity:

≥95%(LC/MS-ELSD)

Cas Number: 17226-75-4
Molecular Weight: 408.36
MDL number: MFCD01725347
PubChem CID: 441966

In stock

Item Number

K463798

Grouped product items
SKU	Size	Availability	Price	Qty
K463798-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$659.90

Basic Description

Synonyms	Khelloside (Khellol-glucoside) \| Quelosido \| 2,16alpha,20,25-Tetrahydroxy-9beta-methyl-10alpha-19-norlanosta-1,5,23(E)-triene-3,11,22-trione \| 4-methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furo[3,2-g]chromen-5-one \|
Specifications & Purity	≥95%(LC/MS-ELSD)
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Description Natural product derived from plant source.}

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans
      - Level5 Chromones
        Level6 Furanochromones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Chromones
Direct Parent	Furanochromones
Alternative Parents	Hexoses O-glycosyl compounds Benzofurans Anisoles Alkyl aryl ethers Pyranones and derivatives Oxanes Vinylogous esters Furans Heteroaromatic compounds Secondary alcohols Polyols Acetals Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Furanochromone - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Benzofuran - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Oxane - Monosaccharide - Heteroaromatic compound - Vinylogous ester - Furan - Secondary alcohol - Acetal - Ether - Oxacycle - Polyol - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as furanochromones. These are polycyclic aromatic compounds containing a furan ring fused to a 1-benzopyran-4-one ring system.
External Descriptors	chromones
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

Names and Identifiers

IUPAC Name	4-methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furo[3,2-g]chromen-5-one
INCHI	InChI=1S/C19H20O10/c1-25-18-9-2-3-26-11(9)5-12-14(18)10(21)4-8(28-12)7-27-19-17(24)16(23)15(22)13(6-20)29-19/h2-5,13,15-17,19-20,22-24H,6-7H2,1H3/t13-,15-,16+,17-,19-/m1/s1
InChIKey	SJRACCTZSAUMGO-WIMVFMHDSA-N
Smiles	COC1=C2C=COC2=CC3=C1C(=O)C=C(O3)COC4C(C(C(C(O4)CO)O)O)O
Isomeric SMILES	COC1=C2C=COC2=CC3=C1C(=O)C=C(O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
UN Number	3077
Molecular Weight	408.36
Reaxy-Rn	45367605
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45367605&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Molecular Weight	408.400 g/mol
XLogP3	-0.600
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	408.106 Da
Monoisotopic Mass	408.106 Da
Topological Polar Surface Area	148.000 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	638.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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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