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Thonningianin A - analytical standard, ≥98%, high purity , CAS No.271579-11-4

COA

Grade & Purity:

analytical standard

≥98%

Cas Number: 271579-11-4
PubChem CID: 10328286

In stock

Item Number

T769925

Grouped product items
SKU	Size	Availability	Price	Qty
T769925-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$286.90

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Apoptosis (4276)

Basic Description

Specifications & Purity	analytical standard, ≥98%
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.
Grade	analytical standard

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Tannins
    - Subclass Hydrolyzable tannins

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Tannins
Subclass	Hydrolyzable tannins
Intermediate Tree Nodes	Not available
Direct Parent	Hydrolyzable tannins
Alternative Parents	Flavonoid O-glycosides 2'-Hydroxy-dihydrochalcones Cinnamylphenols Phenolic glycosides Galloyl esters Alkyl-phenylketones p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Butyrophenones Tricarboxylic acids and derivatives Pyrogallols and derivatives Resorcinols Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides Vinylogous acids Carboxylic acid esters Secondary alcohols Lactones Oxacyclic compounds Acetals Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Hydrolyzable tannin - Flavonoid o-glycoside - 2'-hydroxy-dihydrochalcone - Cinnamylphenol - Phenolic glycoside - Linear 1,3-diarylpropanoid - Galloyl ester - Alkyl-phenylketone - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Butyrophenone - Benzoate ester - Tricarboxylic acid or derivatives - Benzoic acid or derivatives - Phenylketone - Benzenetriol - Pyrogallol derivative - Phenoxy compound - Phenol ether - Resorcinol - Benzoyl - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Oxane - Monosaccharide - Benzenoid - Vinylogous acid - Secondary alcohol - Carboxylic acid ester - Lactone - Ketone - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
External Descriptors	tannin
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	[(10R,11R,12R,13S,15R)-13-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
INCHI	InChI=1S/C42H34O21/c43-20(7-6-15-4-2-1-3-5-15)30-21(44)10-17(11-22(30)45)60-42-36(55)38(63-39(56)16-8-23(46)31(50)24(47)9-16)37-27(61-42)14-59-40(57)18-12-25(48)32(51)34(53)28(18)29-19(41(58)62-37)13-26(49)33(52)35(29)54/h1-5,8-13,27,36-38,42,44-55H,6-7,14H2/t27-,36-,37-,38-,42-/m1/s1
InChIKey	XQVKQEFQGYTUAR-VHBRHXFYSA-N
Smiles	C1C2C(C(C(C(O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
Isomeric SMILES	C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
Alternate CAS	271579-11-4
PubChem CID	10328286
MeSH Entry Terms	thonningianin A

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	874.700 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	9
Exact Mass	874.159 Da
Monoisotopic Mass	874.159 Da
Topological Polar Surface Area	357.000 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	1590.000
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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