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Digoxigenin-Mono(digitoxoside) - ≥98%, high purity , CAS No.5352-63-6

COA

Grade & Purity:

≥98%

Cas Number: 5352-63-6
Molecular Weight: 520.65
PubChem CID: 93001

In stock

Item Number

D336084

Grouped product items
SKU	Size	Availability	Price	Qty
D336084-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
D336084-2mg	2mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,999.90

a metabolite of Digoxin (Dx)

View related series

Membrane Transporter (607) Membrane Transporter/Ion Channel (1822) Na+/K+ ATPase (41)

Basic Description

Synonyms	DTXSID901309084 \| 3beta-(beta-D-ribo-2,6-dideoxy-hexopyranosyloxy)-12beta,14-dihydroxy-5beta,14beta-card-20(22)-enolide \| (3beta,5beta,12beta)-3-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide \| MS-29659 \| TP62PJG6J3 \| AKOS
Specifications & Purity	≥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.
Product Description	Digoxigenin monodigitoxoside is a Na+/K+ ATPase inhibitor and cardiac glycoside metabolite of digoxin.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Steroid lactones
      - Level5 Cardenolides and derivatives
        Level6 Cardenolide glycosides and derivatives

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Steroid lactones
Intermediate Tree Nodes	Cardenolides and derivatives
Direct Parent	Cardenolide glycosides and derivatives
Alternative Parents	Steroidal glycosides 12-hydroxysteroids 14-hydroxysteroids Hexoses O-glycosyl compounds Oxanes Butenolides Tertiary alcohols Enoate esters Secondary alcohols Lactones Cyclic alcohols and derivatives Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Cardanolide-glycoside - Steroidal glycoside - 12-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - 2-furanone - Oxane - Monosaccharide - Cyclic alcohol - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as cardenolide glycosides and derivatives. These are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety.
External Descriptors	monosaccharide derivative - steroid saponin - cardenolide glycoside - digitoxoside
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	3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
INCHI	InChI=1S/C29H44O8/c1-15-26(33)22(30)13-25(36-15)37-18-6-8-27(2)17(11-18)4-5-20-21(27)12-23(31)28(3)19(7-9-29(20,28)34)16-10-24(32)35-14-16/h10,15,17-23,25-26,30-31,33-34H,4-9,11-14H2,1-3H3/t15-,17-,18+,19-,20-,21+,22+,23-,25+,26-,27+,28+,29+/m1/s1
InChIKey	JFSXBMIFXZFKHD-ZDDLGXCGSA-N
Smiles	CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)O
Isomeric SMILES	C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O
Molecular Weight	520.65
Reaxy-Rn	25092730
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25092730&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in DMSO and Methanol
Melt Point(°C)	200-210° C
Molecular Weight	520.700 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	520.304 Da
Monoisotopic Mass	520.304 Da
Topological Polar Surface Area	126.000 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	952.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
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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