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Ouabain octahydrate - ≥98%, high purity , CAS No.11018-89-6

1 Citations

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 11018-89-6
Molecular Weight: 728.77
Beilstein Registry Number: 101712
EC Number: 211-139-3
PubChem CID: 6364534

In stock

Item Number

G129536

Grouped product items
SKU	Size	Availability	Price
G129536-50mg	50mg	3	$48.90
G129536-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90
G129536-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$480.90

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Basic Description

Synonyms	CARD-20(22)-ENOLIDE, 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-1,5,11,14,19-PENTAHYDROXY-, OCTAHYDRATE, (1.BETA.,3.BETA.,5.BETA.,11.ALPHA.)- \| HMS1569O04 \| Ouabain octahydrate \| penta[a]phenanthren-17-yl]-2H-furan-5-one;octahydrate \| 1-Methyl-4-piperidyl
Specifications & Purity	Moligand™, ≥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	Moligand™

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 1-hydroxysteroids 11-alpha-hydroxysteroids 14-hydroxysteroids Hexoses O-glycosyl compounds Oxanes Butenolides Tertiary alcohols Enoate esters Secondary alcohols Cyclic alcohols and derivatives Lactones Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Polyols Organic oxides Primary alcohols Carbonyl compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Cardanolide-glycoside - Steroidal glycoside - 19-hydroxysteroid - 1-hydroxysteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - 11-hydroxysteroid - 11-alpha-hydroxysteroid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - 2-furanone - Monosaccharide - Oxane - Tertiary alcohol - Cyclic alcohol - Dihydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Lactone - Polyol - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Alcohol - Primary alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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	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

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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Vero (26788 Activities)

Explore this target

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;octahydrate
INCHI	InChI=1S/C29H44O12.8H2O/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31;;;;;;;;/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3;8*1H2/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-;;;;;;;;/m0......../s1
InChIKey	TYBARJRCFHUHSN-DMJRSANLSA-N
Smiles	CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.O.O.O.O.O.O.O.O
Isomeric SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.O.O.O.O.O.O.O.O
WGK Germany	3
Alternate CAS	630-60-4
UN Number	1544
Packing Group	I
Molecular Weight	728.77
Beilstein	101712

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.

1 results found

Lot Number	Certificate Type	Date	Item
K1905057	Certificate of Analysis	Jun 08, 2023	G129536

Chemical and Physical Properties

Solubility	DMSO 146 mg/mL Water <1 mg/mL Ethanol 146 mg/mL
Sensitivity	Moisture sensitive
Melt Point(°C)	260°C
Molecular Weight	728.800 g/mol
XLogP3
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	4
Exact Mass	728.368 Da
Monoisotopic Mass	728.368 Da
Topological Polar Surface Area	215.000 Å²
Heavy Atom Count	49
Formal Charge	0
Complexity	1080.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
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	9

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