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Punicalagin(Mixture of Isomers) - 98%, high purity , CAS No.65995-63-3

2 Citations

COA

Grade & Purity:

≥98%

Cas Number: 65995-63-3
Molecular Weight: 1084.72
PubChem CID: 44584733

In stock

Item Number

P117962

Grouped product items
SKU	Size	Availability	Price
P117962-5mg	5mg	5	$53.90
P117962-25mg	25mg	2	$243.90
P117962-50mg	50mg	2	$437.90
P117962-100mg	100mg	2	$787.90

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Anti-infection (2803) HBV (114) SARS-CoV (200) Virus (1811)

Basic Description

Synonyms	AKOS037514808 \| 6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,5
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Punicalagin is a polyphenol component isolated from the leaves of Punica granatum L. or Terminalia catappa L. Punicalagin is a reversible and non competitive 3clpro inhibitor, which can inhibit the replication of sars-cov-2 in vitro. Punicalagin is an ant
Storage Temp	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.
Product Description	Potent immune suppressant isolated from pomegranate.

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	Ellagic acids and derivatives 7,8-dihydroxycoumarins Gallic acid and derivatives Isocoumarins and derivatives 1-benzopyrans 2-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Monosaccharides Heteroaromatic compounds Lactones Carboxylic acid esters Hemiacetals Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Hydrolyzable tannin - Ellagic_acid - 7,8-dihydroxycoumarin - Gallic acid or derivatives - Coumarin - Isocoumarin - Benzopyran - 1-benzopyran - 2-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Benzenoid - Pyran - Oxane - Monosaccharide - Heteroaromatic compound - Carboxylic acid ester - Hemiacetal - Lactone - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen 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) 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	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

Names and Identifiers

IUPAC Name	(1R,35R,38R,55S)-6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone
INCHI	InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48?/m1/s1
InChIKey	ZJVUMAFASBFUBG-UYMKNUMKSA-N
Smiles	C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)O
Isomeric SMILES	C1[C@@H]2[C@H]([C@H]3[C@H](C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)O
Molecular Weight	1084.72
Reaxy-Rn	24710239
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24710239&ln=

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.

5 results found

Lot Number	Certificate Type	Date	Item
A2419518	Certificate of Analysis	May 27, 2024	P117962
A2419616	Certificate of Analysis	May 27, 2024	P117962
A2419623	Certificate of Analysis	May 27, 2024	P117962
A2419661	Certificate of Analysis	May 27, 2024	P117962
A2419759	Certificate of Analysis	May 27, 2024	P117962

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	1084.700 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	17
Hydrogen Bond Acceptor Count	30
Rotatable Bond Count	0
Exact Mass	1084.07 Da
Monoisotopic Mass	1084.07 Da
Topological Polar Surface Area	511.000 Å²
Heavy Atom Count	78
Formal Charge	0
Complexity	2380.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	1
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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